@conference {12488, title = {Laser Spectroscopy of Muonic Atoms and Ions}, booktitle = {Proceedings of the 12th International Conference on Low Energy Antiproton Physics (LEAP2016)}, year = {2017}, note = {n/a}, month = {Nov 24}, pages = {1-12}, publisher = {Journal of the Physical Society of Japan}, organization = {Journal of the Physical Society of Japan}, abstract = {n/a}, isbn = {4-89027-125-2}, url = {http://journals.jps.jp/doi/10.7566/JPSCP.18.011021}, author = {Pohl, Randolf and Nez, Fran{\c c}ois and Fernandes, Luis M. P. and Ahmed, Marwan Abdou and Amaro, Fernando D. and Amaro, Pedro and Biraben, Fran{\c c}ois and Cardoso, Jo{\~a}o M. R. and Covita, Daniel S. and Dax, Andreas and Dhawan, Satish and Diepold, Marc and Franke, Beatrice and Galtier, Sandrine and Giesen, Adolf and Gouvea, Andrea L and G{\"o}tzfried, Johannes and Graf, Thomas and H{\"a}nsch, Theodor W. and Hildebrandt, Malte and Indelicato, Paul and Julien, Lucile and Kirch, Klaus and Knecht, Andreas and Knowles, Paul and Kottmann, Franz and Krauth, Julian J and Le Bigot, Eric-Olivier and Liu, Yi-Wei and Lopes, Jos{\'e} A. M. and Ludhova, Livia and Machado, Jorge and Monteiro, Cristina M. B. and Mulhauser, Fran{\c c}oise and Nebel, Tobias and Rabinowitz, Paul and dos Santos, Joaquim M. F. and Santos, Jose Paulo and Schaller, Lukas A. and Schuhmann, Karsten and Schwob, Catherine and Szabo, Csilla I and Taqqu, David and Veloso, Jo{\~a}o F. C. A. and Voss, Andreas and Weichelt, Birgit and Antognini, Aldo} } @article {2add2220ccfc439789c9ae0a4f996245, title = {Accuracy improvement in XRF analysis for the quantification of elements ranging from tenths to thousands μg g-1in human tissues using different matrix reference materials}, journal = {Journal of Analytical Atomic Spectrometry}, volume = {35}, number = {12}, year = {2020}, note = {

UID/FIS/04559/2019 to LIBPhys-UNL from the FCT/MCTES/PIDDAC, Portugal. FCT contract No. PD/BD/128324/2017.

}, month = {dec}, pages = {2920{\textendash}2927}, publisher = {Royal Society of Chemistry}, abstract = {

In this work, we aim at achieving the most accurate quantitative determination of elements in human tissues by means of X-ray Fluorescence spectrometry using the external calibration approach. A calibration curve built using a set of certified reference materials (CRM) of animal tissue was compared with the one obtained with a set of CRMs of plants and leaves with lower atomic number Z but with correction of the matrix using the scattering peaks of the X-ray tube anode. Finally, a calibration curve combining the two sets of CRMs was built and the accuracy of the quantification using the three methods was compared and a more precise method of quantification was obtained. This improved approach was tested on five paired samples of normal and tumour human tissue. Despite the high heterogeneity of the samples, and given the improvement in accuracy of the measurements, significant differences were found in the elemental concentration of low-Z elements. This journal is

}, issn = {0267-9477}, doi = {10.1039/d0ja00307g}, author = {Machado, Jorge and Carvalho, {Patr{\'\i}cia M. S.} and Ana F{\'e}lix and Delfin Doutel and Santos, {Jos{\'e} Paulo} and Carvalho, {Maria Lu{\'\i}sa} and Pessanha, Sofia} } @article {Ensina_2021, title = {Analysis of human tissues using Energy Dispersive X Ray Fluorescence {\textendash} Dark matrix determination for the application to cancer research}, journal = {Journal of Trace Elements in Medicine and Biology}, volume = {68}, year = {2021}, note = {n/a}, month = {dec}, pages = {126837}, publisher = {Elsevier {BV}}, abstract = {n/a}, doi = {10.1016/j.jtemb.2021.126837}, url = {https://doi.org/10.1016\%2Fj.jtemb.2021.126837}, author = {Ana Ensina and Patr{\'{\i}}cia M. Carvalho and Machado, Jorge and Maria Lu{\'{\i}}sa Carvalho and Diogo Casal and Diogo Pais and Jos{\'e} Paulo Santos and Ant{\'o}nio A. Dias and Pessanha, Sofia} } @article {6848, title = {Analytical evidence of heterogeneous lead accumulation in the hypothalamic defence area and nucleus tractus solitarius.}, journal = {NeuroToxicology}, volume = {44}, year = {2014}, note = {n/a}, month = {Sep}, pages = {91-97}, abstract = {

Lead is a potent toxicant associated with adverse cardiovascular effects and hypertension in children. Yet, few studies have determined if autonomic dysfunction associated with lead exposure involves brain regions which regulate autonomic responses. Central autonomic nuclei such as the nucleus tractus solitarius (NTS) and hypothalamic defence area (HDA) may be particularly sensitive to lead infiltration because they are adjacent to ventricles and areas with semi-permeable blood-brain-barriers. To understand if autonomic nuclei are sensitive to lead accumulation Wistar rats were exposed to lead from the gestational period and lead levels were quantified in brain regions that regulate arterial pressure: the NTS and the HDA. Energy dispersive X-ray fluorescence (EDXRF) was used to quantify total brain lead levels and revealed no differences between exposed and control tissues; measured values were close to the detection limit (2μg/g). Electrothermal atomic absorption spectrometry (ETAAS) was also used, which has a greater sensitivity, to quantify lead. There was \~{}2.1μg/g lead in the NTS and \~{}3.1μg/g lead in the HDA of exposed rats, and no lead in the control rats. There were greater lead levels in the HDA (\~{}50\%) as compared with the NTS. Pathology studies revealed more prominent lead granules in the HDA as compared with the NTS. Increased microglia and astrocyte activation was also noted in the NTS of lead exposed rats as compared with the HDA. Regional differences in neuro-inflammatory responses likely contribute to heterogeneous lead accumulation, with enhanced clearance of lead in the NTS. Future studies will resolve the mechanisms underpinning tissue-specific lead accumulation.

}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0161813X14000916}, author = {D. Guimar{\~a}es and J P Santos and M. L. Carvalho and Diniz, M.S. and House, B and Miller, V M} } @article {8108, title = {Analytical evidence of heterogeneous lead accumulation in the hypothalamic defence area and nucleus tractus solitarius.}, journal = {NeuroToxicology}, volume = {44}, year = {2014}, note = {n/a}, month = {Sep}, pages = {91-97}, abstract = {

Lead is a potent toxicant associated with adverse cardiovascular effects and hypertension in children. Yet, few studies have determined if autonomic dysfunction associated with lead exposure involves brain regions which regulate autonomic responses. Central autonomic nuclei such as the nucleus tractus solitarius (NTS) and hypothalamic defence area (HDA) may be particularly sensitive to lead infiltration because they are adjacent to ventricles and areas with semi-permeable blood-brain-barriers. To understand if autonomic nuclei are sensitive to lead accumulation Wistar rats were exposed to lead from the gestational period and lead levels were quantified in brain regions that regulate arterial pressure: the NTS and the HDA. Energy dispersive X-ray fluorescence (EDXRF) was used to quantify total brain lead levels and revealed no differences between exposed and control tissues; measured values were close to the detection limit (2μg/g). Electrothermal atomic absorption spectrometry (ETAAS) was also used, which has a greater sensitivity, to quantify lead. There was \~{}2.1μg/g lead in the NTS and \~{}3.1μg/g lead in the HDA of exposed rats, and no lead in the control rats. There were greater lead levels in the HDA (\~{}50\%) as compared with the NTS. Pathology studies revealed more prominent lead granules in the HDA as compared with the NTS. Increased microglia and astrocyte activation was also noted in the NTS of lead exposed rats as compared with the HDA. Regional differences in neuro-inflammatory responses likely contribute to heterogeneous lead accumulation, with enhanced clearance of lead in the NTS. Future studies will resolve the mechanisms underpinning tissue-specific lead accumulation.

}, url = {http://linkinghub.elsevier.com/retrieve/pii/S0161813X14000916}, author = {D. Guimar{\~a}es and J P Santos and M. L. Carvalho and Diniz, M.S. and House, B and Miller, V M} } @article {6853, title = {Assessment of Essential Elements and Heavy Metals Content on Mytilus galloprovincialis from River Tagus Estuary.}, journal = {Biological Trace Element Research}, year = {2014}, note = {n/a}, month = {May 25}, abstract = {

Trace elemental content was analysed in edible tissues of Mytilus galloprovincialis collected in five different sampling areas near the mouth of river Tagus estuary in Lisbon. The concentrations of essential elements (S, K, Ca, Fe, Cu, Zn, As, Br and Sr) were determined by energy-dispersive X-ray fluorescence (EDXRF) spectrometry, while toxic elements (Cr, Cd, Hg, Se and Pb) were measured by inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results show that the essential elements K and S are present at the highest concentrations in all the studied samples reaching 2,920 and 4,520~μg~g(-1) (fresh weight), respectively. The highest levels of heavy metals found were in two areas close to the city for Pb and Cd, but below the maximum allowed values.

}, url = {http://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed\&id=24763710\&retmode=ref\&cmd=prlinks}, author = {Santos, I and Diniz, M.S. and M. L. Carvalho and J P Santos} } @article {8127, title = {Assessment of Essential Elements and Heavy Metals Content on Mytilus galloprovincialis from River Tagus Estuary.}, journal = {Biological Trace Element Research}, year = {2014}, note = {n/a}, month = {Apr 25}, abstract = {

Trace elemental content was analysed in edible tissues of Mytilus galloprovincialis collected in five different sampling areas near the mouth of river Tagus estuary in Lisbon. The concentrations of essential elements (S, K, Ca, Fe, Cu, Zn, As, Br and Sr) were determined by energy-dispersive X-ray fluorescence (EDXRF) spectrometry, while toxic elements (Cr, Cd, Hg, Se and Pb) were measured by inductively coupled plasma-atomic emission spectrometry (ICP-AES). The results show that the essential elements K and S are present at the highest concentrations in all the studied samples reaching 2,920 and 4,520~μg~g(-1) (fresh weight), respectively. The highest levels of heavy metals found were in two areas close to the city for Pb and Cd, but below the maximum allowed values.

}, url = {http://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed\&id=24763710\&retmode=ref\&cmd=prlinks}, author = {Santos, I and Diniz, M.S. and M. L. Carvalho and J P Santos} } @article {Pessanha:2018ea, title = {Comparison of standard-based and standardless methods of quantification used in X-ray fluorescence analysis: Application to the exoskeleton of clams}, journal = {X-Ray Spectrom.}, volume = {47}, number = {2}, year = {2018}, note = {

n/a

}, pages = {108{\textendash}115}, abstract = {

n/a

}, author = {Pessanha, S. and Fonseca, C and J P Santos and M. L. Carvalho and A. A. Dias} } @article {195, title = {Computational study on the ionization energies of benzyl azide and its methyl derivatives}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {948}, number = {1-3}, year = {2010}, pages = {15-20}, abstract = {Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M{\textasciimacron}ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.}, keywords = {Ab initio Ionization energy Benzyl azide Photoelectron spectroscopy}, url = {http://www.sciencedirect.com/science/article/B6TGT-4YDT3SS-1/2/5a8220b271efdcb2d81ee68dfcd0d0a7}, author = {R. M. Pinto and A. A. Dias and M. L. Costa and J P Santos} } @article {8155, title = {Computational study on the ionization energies of benzyl azide and its methyl derivatives}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {948}, number = {1-3}, year = {2010}, note = {

Webpage CFA-FCTUNLJPS-Ref43

}, pages = {15-20}, type = {doi: DOI: 10.1016/j.theochem.2010.02.011}, abstract = {

Ionization energies of benzyl azide (BA), C6H5CH2N3, its methyl derivatives, 2-, 3- and 4-methyl benzyl azide and (1-azidoethyl)benzene (2-, 3- and 4-MBA and 1-AEB), (CH3)C6H4CH2 N3, have been calculated with several basis sets, with M{\textasciimacron}ller-Plesset and Hartree-Fock methods. The data are compared to the ionizations energies obtained from HeI photoelectron spectroscopy (UVPES) experiments, in order to support the correct assignment of the bands. The nature and character of the molecular orbitals are also discussed.

}, url = {http://www.sciencedirect.com/science/article/B6TGT-4YDT3SS-1/2/5a8220b271efdcb2d81ee68dfcd0d0a7}, author = {R. M. Pinto and A. A. Dias and M. L. Costa and J P Santos} } @article {217, title = {Contrasting Behavior in Azide Pyrolyses: An Investigation of the Thermal Decompositions of Methyl Azidoformate, Ethyl Azidoformate and 2-Azido-N, N-dimethylacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix Isolation Infrared Spectroscopy}, journal = {Chemistry - A European Journal}, volume = {11}, number = {5}, year = {2005}, note = {10.1002/chem.200400767 About DOI}, pages = {1665-1676}, abstract = {The thermal decompositions of methyl azidoformate (N3COOMe), ethyl azidoformate (N3COOEt) and 2-azido-N,N-dimethylacetamide (N3CH2CONMe2) have been studied by matrix isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2 appears as an initial pyrolysis product in all systems, and the principal interest lies in the fate of the accompanying organic fragment. For methyl azidoformate, four accompanying products were observed: HNCO, H2CO, CH2NH and CO2, and these are believed to arise as a result of two competing decomposition routes of a four-membered cyclic intermediate. Ethyl azidoformate pyrolysis yields four corresponding products: HNCO, MeCHO, MeCHNH and CO2, together with the five-membered-ring compound 2-oxazolidone. In contrast, the initial pyrolysis of 2-azido-N,N-dimethyl acetamide, yields the novel imine intermediate Me2NCOCHNH, which subsequently decomposes into dimethyl formamide (HCONMe2), CO, Me2NH and HCN. This intermediate was detected by matrix isolation IR spectroscopy, and its identity confirmed both by a molecular orbital calculation of its IR spectrum, and by the temperature dependence and distribution of products in the PES and IR studies. Mechanisms are proposed for the formation and decomposition of all the products observed in these three systems, based on the experimental evidence and the results of supporting molecular orbital calculations.}, keywords = {azides IR spectroscopy matrix isolation photoelectron spectrosopy}, author = {J. M. Dyke and G. Levita and A. Morris and J. S. Ogden and A. A. Dias and M. Algarra and J P Santos and M. L. Costa and P. Rodrigues and M. M. Andrade and M. T. Barros} } @article {8125, title = {Contrasting Behavior in Azide Pyrolyses: An Investigation of the Thermal Decompositions of Methyl Azidoformate, Ethyl Azidoformate and 2-Azido-N, N-dimethylacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix Isolation Infrared Spectroscopy}, journal = {Chemistry - A European Journal}, volume = {11}, number = {5}, year = {2005}, note = {

10.1002/chem.200400767 About DOIJPS-Ref25

}, pages = {1665-1676}, abstract = {

The thermal decompositions of methyl azidoformate (N3COOMe), ethyl azidoformate (N3COOEt) and 2-azido-N,N-dimethylacetamide (N3CH2CONMe2) have been studied by matrix isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2 appears as an initial pyrolysis product in all systems, and the principal interest lies in the fate of the accompanying organic fragment. For methyl azidoformate, four accompanying products were observed: HNCO, H2CO, CH2NH and CO2, and these are believed to arise as a result of two competing decomposition routes of a four-membered cyclic intermediate. Ethyl azidoformate pyrolysis yields four corresponding products: HNCO, MeCHO, MeCHNH and CO2, together with the five-membered-ring compound 2-oxazolidone. In contrast, the initial pyrolysis of 2-azido-N,N-dimethyl acetamide, yields the novel imine intermediate Me2NCOCHNH, which subsequently decomposes into dimethyl formamide (HCONMe2), CO, Me2NH and HCN. This intermediate was detected by matrix isolation IR spectroscopy, and its identity confirmed both by a molecular orbital calculation of its IR spectrum, and by the temperature dependence and distribution of products in the PES and IR studies. Mechanisms are proposed for the formation and decomposition of all the products observed in these three systems, based on the experimental evidence and the results of supporting molecular orbital calculations.

}, author = {J. M. Dyke and G. Levita and A. Morris and J. S. Ogden and A. A. Dias and M. Algarra and J P Santos and M. L. Costa and P. Rodrigues and M. M. Andrade and M. T. Barros} } @article {6851, title = {Determination of subshell-resolved \<span class=\"aps-inline-formula\"\>\<math\>\<mi\>L\</mi\>\</math\>\</span\>-shell-ionization cross sections of gold induced by 15{\textendash}40-keV electrons}, journal = {Physical Review A}, volume = {89}, number = {5}, year = {2014}, note = {n/a}, month = {Jun 14}, pages = {052708}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.89.052708}, author = {Rahangdale, H V and M Guerra and Das, P K and De, S. and J P Santos and Mitra, D and Saha, S} } @article {8109, title = {Determination of subshell-resolved \<span class=\"aps-inline-formula\"\>\<math\>\<mi\>L\</mi\>\</math\>\</span\>-shell-ionization cross sections of gold induced by 15{\textendash}40-keV electrons}, journal = {Physical Review A}, volume = {89}, number = {5}, year = {2014}, note = {n/a}, month = {May 14}, pages = {052708}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.89.052708}, author = {Rahangdale, H V and M Guerra and Das, P K and De, S. and J P Santos and Mitra, D and Saha, S} } @article {947bad94b0034a06b7c096fdb9409757, title = {Diagram, valence-to-core, and hypersatellite Kβ X-ray transitions in metallic chromium}, journal = {X-Ray Spectrometry}, volume = {48}, number = {5}, year = {2019}, note = {

info:eu-repo/grantAgreement/FCT/SFRH/SFRH\%2FBPD\%2F92455\%2F2013/PT$\#$ info:eu-repo/grantAgreement/FCT/5876/147413/PT$\#$ info:eu-repo/grantAgreement/FCT/5876/147256/PT$\#$ The financial support of the Swiss National Science Foundation (Grant No. 200020-146739) is acknowledged by F.?Z., J.?H., and J.-Cl.?D. M.?G. acknowledges the support of the FCT, under the Contract No. SFRH/BPD/92455/2013 and the project PTDC/FIS-AQM/31969/2017, ?Ultra-high-accuracy X-ray spectroscopy of transition metal oxides and rare earths.? This work was also partly supported by the research center grants nos. UID/FIS/04559/2013 to LIBPhys-UNL, and UID/MULTI/04046/2013 to BioISI, from the FCT/MCTES/PIDDAC.

}, pages = {351{\textendash}359}, publisher = {John Wiley \& Sons, Ltd.}, abstract = {

We report on measurements of the Kβ diagram, valence-to-core (VtC), and hypersatellite X-ray spectra induced in metallic Cr by photon single and double K-shell ionization. The experiment was carried out at the Stanford Synchrotron Radiation Lightsource using the seven-crystal Johann-type hard X-ray spectrometer of the beamline 6-2. For the Kβ diagram and VtC transitions, the present study confirms the line shape features observed in previous works, whereas the K h β hypersatellite transition was found to exhibit a complex spectral line shape and a characteristic low-energy shoulder. The energy shift of the hypersatellite relative to the parent diagram line was deduced from the measurements and compared with the result of extensive multiconfiguration Dirac{\textendash}Fock (MCDF) calculations. A very good agreement between experiment and theory was found. The MCDF calculations were also used to compute the theoretical line shape of the hypersatellite. A satisfactory agreement was obtained between the overall shapes of the experimental and theoretical spectra, but deviations were observed on the low- and high-energy flanks of the hypersatellite line. The discrepancies were explained by chemical effects, which were not considered in the MCDF calculations performed for isolated atoms.

}, issn = {0049-8246}, doi = {10.1002/xrs.3019}, author = {Faisal Zeeshan and Joanna Hoszowska and Dousse, {Jean Claude} and Dimosthenis Sokaras and Weng, {Tsu Chien} and Roberto Alonso-Mori and Matjaz Kav{\v c}i{\v c} and Guerra, Mauro and Sampaio, {Jorge Miguel} and Parente, Fernando and Indelicato, Paul and Marques, {Jos{\'e} Pires} and Santos, {Jos{\'e} Paulo}} } @article {8118, title = {Evaluation of the effective solid angle of a hemispherical deflector analyser with injection lens for metastable Auger projectile states}, journal = {Nuclear Inst. and Methods in Physics Research, B}, volume = {365}, number = {Part B}, year = {2015}, note = {n/a}, month = {Dec 15}, pages = {457-461}, publisher = {Elsevier B.V.}, abstract = {

Nuclear Inst. and Methods in Physics Research, B, 365 (2015) 457-461. doi:10.1016/j.nimb.2015.07.006

}, url = {http://dx.doi.org/10.1016/j.nimb.2015.07.006}, author = {Benis, E P and Doukas, S and Zouros, T J M and P. Indelicato and F. Parente and C. Martins and J P Santos and J. P. Marques} } @article {8061, title = {Improved x-ray detection and particle identification with avalanche photodiodes}, journal = {Review of Scientific Instruments}, volume = {86}, number = {5}, year = {2015}, note = {n/a}, month = {May}, pages = {053102-7}, abstract = {n/a}, url = {http://scitation.aip.org/content/aip/journal/rsi/86/5/10.1063/1.4921195}, author = {Diepold, Marc and Fernandes, Luis M. P. and Machado, Jorge and Amaro, Pedro and Abdou-Ahmed, Marwan and Amaro, Fernando D. and Antognini, Aldo and Biraben, Fran{\c c}ois and Chen, Tzu-Ling and Covita, Daniel S. and Dax, Andreas J and Franke, Beatrice and Galtier, Sandrine and Gouvea, Andrea L and G{\"o}tzfried, Johannes and Graf, Thomas and H{\"a}nsch, Theodor W. and Hildebrandt, Malte and Indelicato, Paul and Julien, Lucile and Kirch, Klaus and Knecht, Andreas and Kottmann, Franz and Krauth, Julian J and Liu, Yi-Wei and Monteiro, Cristina M. B. and Mulhauser, Fran{\c c}oise and Naar, Boris and Nebel, Tobias and Nez, Fran{\c c}ois and Santos, Jose Paulo and dos Santos, Joaquim M. F. and Schuhmann, Karsten and Szabo, Csilla I and Taqqu, David and Veloso, Jo{\~a}o F. C. A. and Voss, Andreas and Weichelt, Birgit and Pohl, Randolf} } @article {Krauth_2021, title = {Measuring the $\upalpha$-particle charge radius with muonic helium-4 ions}, journal = {Nature}, volume = {589}, number = {7843}, year = {2021}, note = {n/a}, month = {jan}, pages = {527{\textendash}531}, publisher = {Springer Science and Business Media {LLC}}, abstract = {n/a}, doi = {10.1038/s41586-021-03183-1}, url = {https://doi.org/10.1038\%2Fs41586-021-03183-1}, author = {Krauth, Julian J and Schuhmann, Karsten and Ahmed, Marwan Abdou and Amaro, Fernando D. and Amaro, Pedro and Biraben, Fran{\c c}ois and Chen, Tzu-Ling and Covita, Daniel S. and Dax, Andreas J and Diepold, Marc and Fernandes, Luis M. P. and Franke, Beatrice and Galtier, Sandrine and Gouvea, Andrea L and Johannes G{\~A}{\textparagraph}tzfried and Graf, Thomas and Theodor W. H{\~A}¤nsch and Jens Hartmann and Hildebrandt, Malte and Indelicato, Paul and Julien, Lucile and Kirch, Klaus and Knecht, Andreas and Liu, Yi-Wei and Machado, Jorge and Monteiro, Cristina M. B. and Mulhauser, Fran{\c c}oise and Naar, Boris and Nebel, Tobias and Nez, Fran{\c c}ois and dos Santos, Joaquim M. F. and Jos{\'e} Paulo Santos and Szabo, Csilla I and Taqqu, David and Veloso, Jo{\~a}o F. C. A. and Jan Vogelsang and Voss, Andreas and Weichelt, Birgit and Pohl, Randolf and Antognini, Aldo and Kottmann, Franz} } @article {208, title = {QED and relativistic corrections in superheavy elements}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {45}, year = {2007}, note = {10.1140/epjd/e2007-00229-y PACS. 31.30.Jv Relativistic and quantum electrodynamic effects in atoms and molecules - 31.25.Eb Electron correlation calculations for atoms and ions: ground state - 31.25.Jf Electron correlation calculations for atoms and ions: excited states - 32.70.Cs Oscillator strengths, lifetimes, transition moments}, pages = {155-170}, abstract = {In this paper we review the different relativistic and QED contributions to energies, ionic radii, transition probabilities and Land{\'e} g-factors in super-heavy elements, with the help of the MultiConfiguration Dirac-Fock method (MCDF). The effects of taking into account the Breit interaction to all orders by including it in the self-consistent field process are demonstrated. State of the art radiative corrections are included in the calculation and discussed. We also study the non-relativistic limit of MCDF calculation and find that the non-relativistic offset can be unexpectedly large.}, url = {http://dx.doi.org/10.1140/epjd/e2007-00229-y}, author = {P. Indelicato and J P Santos and S. Boucard and J. P. Descalux} } @article {8153, title = {QED and relativistic corrections in superheavy elements}, journal = {The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics}, volume = {45}, year = {2007}, note = {

10.1140/epjd/e2007-00229-yPACS. 31.30.Jv Relativistic and quantum electrodynamic effects in atoms and molecules - 31.25.Eb Electron correlation calculations for atoms and ions: ground state - 31.25.Jf Electron correlation calculations for atoms and ions: excited states - 32.70.Cs Oscillator strengths, lifetimes, transition moments JPS-Ref31

}, pages = {155-170}, abstract = {

In this paper we review the different relativistic and QED contributions to energies, ionic radii, transition probabilities and Land{\'e} g-factors in super-heavy elements, with the help of the MultiConfiguration Dirac-Fock method (MCDF). The effects of taking into account the Breit interaction to all orders by including it in the self-consistent field process are demonstrated. State of the art radiative corrections are included in the calculation and discussed. We also study the non-relativistic limit of MCDF calculation and find that the non-relativistic offset can be unexpectedly large.Topical Issue on the Atomic Properties of the Heaviest Elements

}, url = {http://dx.doi.org/10.1140/epjd/e2007-00229-y }, author = {P. Indelicato and J P Santos and S. Boucard and J. P. Descalux} } @article {10147, title = {Quantitative determinations and imaging in different structures of buried human bones from the XVIII-XIXth centuries by energy dispersive X-ray fluorescence {\textendash} Postmortem evaluation}, journal = {Talanta}, volume = {155}, number = {C}, year = {2016}, note = {n/a}, month = {Aug 01}, pages = {107-115}, publisher = {Elsevier}, abstract = {

Talanta, 155 + (2016) 107-115. doi:10.1016/j.talanta.2016.04.028

}, url = {http://dx.doi.org/10.1016/j.talanta.2016.04.028}, author = {D. Guimar{\~a}es and A. A. Dias and Carvalho, M. and M. L. Carvalho and J P Santos and Henriques, F R and Curate, F and Pessanha, S.} } @article {8117, title = {Quantum interference effects in laser spectroscopy of muonic hydrogen, deuterium, and helium-3}, journal = {Physical Review A}, volume = {92}, number = {2}, year = {2015}, note = {n/a}, month = {Aug 28}, pages = {022514-7}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.92.022514}, author = {Amaro, Pedro and Franke, Beatrice and Krauth, Julian J and Diepold, Marc and Fratini, Filippo and Safari, Laleh and Machado, Jorge and Antognini, Aldo and Kottmann, Franz and Indelicato, Paul and Pohl, Randolf and Santos, Jose Paulo} } @article {5671, title = {Reference free, high-precision measurements of transition energies in few electron argon ions}, journal = {AIP APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: Twenty-Second International Conference}, volume = {1525}, number = {1}, year = {2013}, note = {

journal = {AIP Conference Proceedings}

}, pages = {68-72}, publisher = {AIP}, abstract = {

The use of a vacuum double crystal spectrometer, coupled to an electron-cyclotron resonance ion source (ECRIS), allows to measure low-energy x-ray transitions energies in highly-charged ions with accuracies of the order of a few parts per million. We have used this installation to measure the 1s2p 1 P1 - 1s2 1 S0 diagram line and the 1s2s 3 S1 - 1s2 1 S0 forbidden M1 transition energies in helium-like argon, the 1s2s2p 2 P j 1s2 2s 2 S1/2 transitions in lithium-like argon and the 1s2s2 2p 1 P1 - 1s2 2s2 1 S0 transition in beryllium-like argon. These transition measurements have accuracies between 2 and 4 ppm depending on the line intensity. Thanks to the excellent agreement between the simulations and the measurements, we were also able to measure the transition width of all the allowed transitions. The results are compared to recent QED and relativistic many-body calculations.

}, url = {http://link.aip.org/link/?APC/1525/68/1}, author = {Szabo, Csilla I and Amaro, Pedro and Guerra, Mauro and Schlesser, Sophie and Gumberidze, Alexander and Santos, Jose Paulo and Indelicato, Paul}, editor = {McDaniel, Floyd D and Doyle, Barney L and Glass, Gary A and Wang, Yongqiang} } @article {8076, title = {Reference free, high-precision measurements of transition energies in few electron argon ions}, journal = {AIP Conf. Proc.}, volume = {1525}, number = {1}, year = {2013}, note = {

journal = {AIP Conference Proceedings}

}, pages = {68-72}, publisher = {AIP}, abstract = {

The use of a vacuum double crystal spectrometer, coupled to an electron-cyclotron resonance ion source (ECRIS), allows to measure low-energy x-ray transitions energies in highly-charged ions with accuracies of the order of a few parts per million. We have used this installation to measure the 1s2p 1 P1 - 1s2 1 S0 diagram line and the 1s2s 3 S1 - 1s2 1 S0 forbidden M1 transition energies in helium-like argon, the 1s2s2p 2 P j 1s2 2s 2 S1/2 transitions in lithium-like argon and the 1s2s2 2p 1 P1 - 1s2 2s2 1 S0 transition in beryllium-like argon. These transition measurements have accuracies between 2 and 4 ppm depending on the line intensity. Thanks to the excellent agreement between the simulations and the measurements, we were also able to measure the transition width of all the allowed transitions. The results are compared to recent QED and relativistic many-body calculations.

}, url = {http://link.aip.org/link/?APC/1525/68/1}, author = {Szabo, Csilla I and Amaro, Pedro and Guerra, Mauro and Schlesser, Sophie and Gumberidze, Alexander and Santos, Jose Paulo and Indelicato, Paul}, editor = {McDaniel, Floyd D and Doyle, Barney L and Glass, Gary A and Wang, Yongqiang} } @article {J._P._Santos_75005553, title = {Reference-free measurements of the 1s2s2p2P1/2,3/2o\rightarrow1s22s2S1/2 and 1s2s2p4P5/2\rightarrow1s22s2S1/2 transition energies and widths in lithiumlike sulfur and argon ions}, journal = {Physical Review A}, year = {2020}, note = {n/a}, abstract = {n/a}, doi = {10.1103/PhysRevA.101.062505}, url = {http://doi.org/10.1103/PhysRevA.101.062505}, author = {J P Santos and Machado, J and Bian, Guojie and Nancy Paul and Trassinelli, M and P Amaro and M Guerra and Szabo, C. I. and Gumberidze, A. and Isac, J. M. and J P Santos and J. P. Desclaux and P. Indelicato} } @article {8088, title = {Relativistic 2s1/2 (L1) atomic subshell decay rates and fluorescence yields for Yb and Hg}, journal = {Journal of Physics B: Atomic and Molecular Physics}, volume = {32}, year = {1999}, note = {

JPS-Ref05

}, pages = {2089}, abstract = {n/a}, url = {http://iopscience.iop.org/0953-4075/32/9/304/}, author = {J P Santos and J. P. Marques and F. Parente and E. Lindroth and P. Indelicato and J. P. Desclaux} } @article {8107, title = {Relativistic 2s1/2 (L1) atomic subshell radiationless transition probabilities for Yb and Hg}, journal = {Atomic Data and Nuclear Data Tables}, volume = {76}, number = {1}, year = {2000}, note = {

doi:10.1006/adnd.2000.0837JPS-Ref06

}, pages = {49-69}, abstract = {

Radiationless transition rates to L1 vacancy states have been calculated ab initio in the Dirac-Fock approximation. The calculations include quantum-electrodynamic corrections. Results in the jj coupling scheme for all possible L1 transitions are tabulated for elements Yb and Hg.

}, author = {J P Santos and J. P. Marques and F. Parente and P. Indelicato and J. P. Desclaux} } @article {213, title = {Relativistic correlation correction to the binding energies of the ground configuration of beryllium-like, neon-like, magnesium-like and argon-like ions}, journal = {The European Physical Journal D}, volume = {37}, number = {2}, year = {2006}, note = {DOI: 10.1140/epjd/e2006-00002-x PACS 31.30.Jv - Relativistic and quantum electrodynamic effects in atoms and molecules. 31.25.Eb - Electron correlation calculations for atoms and ions: ground state.}, pages = {201-207}, abstract = {Total electronic correlation corrections to the binding energies of the isoelectronic series of beryllium, neon, magnesium and argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the correlation energies is studied as the active set of orbitals is increased. The Breit interaction is treated fully self-consistently. The final results can be used in the accurately determination of atomic masses from highly charged ions data obtained in Penning-trap experiments.}, url = {http://www.edpsciences.org/articles/epjd/abs/2006/02/d05302/d05302.html}, author = {J P Santos and G. C. Rodrigues and J. P. Marques and F. Parente and J. P. Desclaux and P. Indelicato} } @article {8048, title = {Relativistic correlation correction to the binding energies of the ground configuration of beryllium-like, neon-like, magnesium-like and argon-like ions}, journal = {The European Physical Journal D}, volume = {37}, number = {2}, year = {2006}, note = {

DOI: 10.1140/epjd/e2006-00002-xPACS31.30.Jv - Relativistic and quantum electrodynamic effects in atoms and molecules.31.25.Eb - Electron correlation calculations for atoms and ions: ground state. JPS-Ref28

}, pages = {201-207}, abstract = {

Total electronic correlation corrections to the binding energies of the isoelectronic series of beryllium, neon, magnesium and argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the correlation energies is studied as the active set of orbitals is increased. The Breit interaction is treated fully self-consistently. The final results can be used in the accurately determination of atomic masses from highly charged ions data obtained in Penning-trap experiments.

}, url = {http://www.edpsciences.org/articles/epjd/abs/2006/02/d05302/d05302.html}, author = {J P Santos and G. C. Rodrigues and J. P. Marques and F. Parente and J. P. Desclaux and P. Indelicato} } @article {12508, title = {Spectroscopic investigations of L-shell ionization in heavy elements by electron impact}, journal = {Journal of Quantitative Spectroscopy and Radiative Transfer}, volume = {174}, number = {C}, year = {2016}, note = {n/a}, month = {May 01}, pages = {79-87}, publisher = {Elsevier}, abstract = {

Journal of Quantitative Spectroscopy and Radiative Transfer, 174 + (2016) 79-87. doi:10.1016/j.jqsrt.2016.01.026

}, url = {http://dx.doi.org/10.1016/j.jqsrt.2016.01.026}, author = {Rahangdale, H V and Mitra, D and Das, P K and De, S. and M Guerra and J P Santos and Saha, S} } @article {197, title = {Study of selected benzyl azides by UV photoelectron spectroscopy and mass spectrometry}, journal = {Journal of Molecular Structure}, volume = {980}, number = {1-3}, year = {2010}, pages = {163-171}, abstract = {Benzyl azide and the three methylbenzyl azides were synthesized and characterized by mass spectrometry (MS) and ultraviolet photoelectron spectroscopy (UVPES). The electron ionization fragmentation mechanisms for benzyl azide and their methyl derivatives were studied by accurate mass measurements and linked scans at constant B/E. For benzyl azide, in order to clarify the fragmentation mechanism, labelling experiments were performed. From the mass analysis of methylbenzyl azides isomers it was possible to differentiate the isomers ortho, meta and para. The abundance and nature of the ions resulting from the molecular ion fragmentation, for the three distinct isomers of substituted benzyl azides, were rationalized in terms of the electronic properties of the substituent. Concerning the para-isomer, IRC calculations were performed at UHF/6-31G(d) level. The photoionization study of benzyl azide, with He(I) radiation, revealed five bands in the 8-21~eV ionization energies region. From every photoelectron spectrum of methylbenzyl azides isomers it has been identified seven bands, on the same range as the benzyl azide. Interpretation of the photoelectron spectra was accomplished applying Koopmans{\textquoteright} theorem to the SCF orbital energies obtained at HF/6-311++G(d,~p) level.}, keywords = {Benzyl azides UVPES EIMS IRC calculations}, doi = {DOI: 10.1016/j.molstruc.2010.07.009}, url = {http://www.sciencedirect.com/science/article/B6TGS-50HYGG6-1/2/4382c3d63371e36f8393d336f3551506}, author = {R. M. Pinto and R. I. Olariu and J. Lameiras and F. T. Martins and A. A. Dias and G. J. Langley and P. Rodrigues and C. D. Maycock and J P Santos and M. F. Duarte and M. T. Fernandez and M. L. Costa} } @article {8049, title = {Study of selected benzyl azides by UV photoelectron spectroscopy and mass spectrometry}, journal = {Journal of Molecular Structure}, volume = {980}, number = {1-3}, year = {2010}, note = {

Webpage CFA-FCTUNLJPS-Ref42

}, pages = {163-171}, abstract = {

Benzyl azide and the three methylbenzyl azides were synthesized and characterized by mass spectrometry (MS) and ultraviolet photoelectron spectroscopy (UVPES). The electron ionization fragmentation mechanisms for benzyl azide and their methyl derivatives were studied by accurate mass measurements and linked scans at constant B/E. For benzyl azide, in order to clarify the fragmentation mechanism, labelling experiments were performed. From the mass analysis of methylbenzyl azides isomers it was possible to differentiate the isomers ortho, meta and para. The abundance and nature of the ions resulting from the molecular ion fragmentation, for the three distinct isomers of substituted benzyl azides, were rationalized in terms of the electronic properties of the substituent. Concerning the para-isomer, IRC calculations were performed at UHF/6-31G(d) level. The photoionization study of benzyl azide, with He(I) radiation, revealed five bands in the 8-21~eV ionization energies region. From every photoelectron spectrum of methylbenzyl azides isomers it has been identified seven bands, on the same range as the benzyl azide. Interpretation of the photoelectron spectra was accomplished applying Koopmans\' theorem to the SCF orbital energies obtained at HF/6-311++G(d,~p) level.

}, url = {http://www.sciencedirect.com/science/article/B6TGS-50HYGG6-1/2/4382c3d63371e36f8393d336f3551506}, author = {R. M. Pinto and R. I. Olariu and J. Lameiras and F. T. Martins and A. A. Dias and G. J. Langley and P. Rodrigues and C. D. Maycock and J P Santos and M. F. Duarte and M. T. Fernandez and M. L. Costa} } @article {8132, title = {A Study of the Thermal Decomposition of 2-Azidoacetamide by Ultraviolet Photoelectron Spectroscopy and Matrix-Isolation Infrared Spectroscopy: Identification of the Imine Intermediate H2NCOCHNH}, journal = {The Journal of Physical Chemistry A}, volume = {108}, number = {25}, year = {2004}, note = {

DOI: 10.1021/jp031288sJPS-Ref21

}, pages = {5299-5307}, publisher = {American Chemical Society}, abstract = {

The thermal decomposition of 2-azidoacetamide (N3CH2CONH2) has been studied by matrix-isolation infrared spectroscopy and real-time ultraviolet photoelectron spectroscopy. N2, CH2NH, HNCO, CO, NH3, and HCN are observed as high-temperature decomposition products, while at lower temperatures, the novel imine intermediate H2NCOCHNH is observed in the matrix-isolation IR experiments. The identity of this intermediate is confirmed both by ab initio molecular orbital calculations of its IR spectrum and by the temperature dependence and distribution of products in the photoelectron spectroscopy (PES) and IR studies. Mechanisms are proposed for the formation and decomposition of the intermediate consistent both with the observed results and with estimated activation energies based on pathway calculations.

}, url = {http://dx.doi.org/10.1021/jp031288s}, author = {J. M. Dyke and G. Levita and A. Morris and J. S. Ogden and A. A. Dias and M. Algarra and J P Santos and M. L. Costa and P. Rodrigues and M. T. Barros} } @article {2903, title = {Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {J. Electron. Spectrosc. Related Phenomena}, volume = {185}, year = {2012}, note = {

JPS-Ref54

}, pages = {13-17}, abstract = {

The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field ({\OE}{\^\i}SCF) approach. Simulated spectra were generated using these CEBEs and the results from Gaussian-n (Gn, n=1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

}, url = {http://www.sciencedirect.com/science/article/pii/S0368204811001356}, author = {R. M. Pinto and A. A. Dias and M. Coreano and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8146, title = {Tautomerism in 5-aminotetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {Journal of Electron Spectroscopy and Related Phenomena}, volume = {185}, year = {2012}, note = {

JPS-Ref54

}, pages = {13-17}, abstract = {

The C 1s and N 1s photoelectron spectra of gas-phase 5-aminotetrazole (5ATZ) were recorded using synchrotron radiation, with the aim of evaluating 1H/2H tautomer population ratios. The core-electron binding energies (CEBEs) were estimated from computational results, using the delta self-consistent-field ({\OE}{\^\i}SCF) approach. Simulated spectra were generated using these CEBEs and the results from Gaussian-n (Gn, n=1, 2 and 3) and Complete Basis Set (CBS-4M and CBS-Q) methods. Results reveal the almost exclusive predominance of the 2H-tautomer, with a 1H/2H ratio of ca. 0.12/0.88, taken from a gross analysis of the XPS C 1s spectrum, recorded at 365 K.

}, url = {http://www.sciencedirect.com/science/article/pii/S0368204811001356}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {702, title = {Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and {\OE}{\^\i}SCF calculations}, journal = {Chemical Physics Letters}, volume = {516}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {149{\textendash}153}, abstract = {

The relative populations of the 1H- and 2H-tautomer of gas-phase 5-methyltetrazole (5MTZ) have been assessed through core-level photoelectron spectroscopy, and compared with the results obtained from Gaussian-n (Gn, n\&$\#$xa0;=\&$\#$xa0;1, 2 and 3) and Complete Basis Set methods (CBS-4M and CBS-Q). The C 1s and N 1s core{\quotesinglbase}{\"A}{\`\i}electron binding energies (CEBEs) for each ionization site of both tautomers have been computed using the {\OE}{\^\i}self-consistent-field ({\OE}{\^\i}SCF) approach. The C 1s and N 1s XPS spectra, obtained at 313\&$\#$xa0;K, yield a 1H/2H tautomer ratio of ca. 0.16/0.84 and 0.21/0.79, respectively.

}, isbn = {0009-2614}, url = {http://www.sciencedirect.com/science/article/pii/S0009261411012371}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8112, title = {Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {Chemical Physics Letters}, volume = {516}, number = {4-6}, year = {2011}, note = {

JPS-Ref47

}, month = {Nov 18}, pages = {149-153}, publisher = {Elsevier B.V.}, abstract = {

Chemical Physics Letters, 516 (2011) 149-153. doi:10.1016/j.cplett.2011.10.001

}, url = {http://dx.doi.org/10.1016/j.cplett.2011.10.001}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8077, title = {Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and ΔSCF calculations}, journal = {Chemical Physics Letters}, volume = {516}, year = {2011}, note = {

Webpage CFA-FCTUNL

}, pages = {149{\textendash}153}, abstract = {

The relative populations of the 1H- and 2H-tautomer of gas-phase 5-methyltetrazole (5MTZ) have been assessed through core-level photoelectron spectroscopy, and compared with the results obtained from Gaussian-n (Gn, n\&$\#$xa0;=\&$\#$xa0;1, 2 and 3) and Complete Basis Set methods (CBS-4M and CBS-Q). The C 1s and N 1s core{\quotesinglbase}{\"A}{\`\i}electron binding energies (CEBEs) for each ionization site of both tautomers have been computed using the {\OE}{\^\i}self-consistent-field ({\OE}{\^\i}SCF) approach. The C 1s and N 1s XPS spectra, obtained at 313\&$\#$xa0;K, yield a 1H/2H tautomer ratio of ca. 0.16/0.84 and 0.21/0.79, respectively.

}, url = {http://www.sciencedirect.com/science/article/pii/S0009261411012371}, author = {R. M. Pinto and A. A. Dias and Coreno, M. and de Simone, M. and Giuliano, B. M. and J P Santos and M. L. Costa} } @article {8079, title = {Theoretical and experimental determination of L-shell decay rates, line widths, and fluorescence yields in Ge}, journal = {Physical Review A}, volume = {92}, number = {2}, year = {2015}, note = {n/a}, month = {Aug 19}, pages = {022507-9}, abstract = {n/a}, url = {http://link.aps.org/doi/10.1103/PhysRevA.92.022507}, author = {M Guerra and Sampaio, J M and Madeira, T I and F. Parente and P. Indelicato and J. P. Marques and J P Santos and Hoszowska, J. and Dousse, J. Cl and Loperetti, L and Zeeshan, F and Muller, M and Unterumsberger, R and Beckhoff, B} } @article {8113, title = {Theoretical study of the molecular properties of methyl 2-azidopropionate and methyl 3-azidopropionate}, journal = {Journal of Molecular Structure: THEOCHEM}, volume = {894}, number = {1-3}, year = {2009}, note = {

doi: DOI: 10.1016/j.theochem.2008.10.007Webpage CFA-FCTUNL

}, pages = {80-87}, abstract = {

An extensive conformational analysis was carried at ab initio and DFT levels of theory on two molecules - methyl 2-azidopropionate (N3CH3CHCOOCH3) and methyl 3-azidopropionate (N3CH2CH2COOCH3). In each case, the lowest energy conformers were characterized and the energy barriers between them were estimated. Ionization energies and vibrational frequencies were also computed, in order to support future spectroscopic studies with ultraviolet photoelectron spectroscopy (UVPES) and matrix isolation infrared spectroscopy (Matrix Isolation FTIR).

}, url = {http://www.sciencedirect.com/science/article/B6TGT-4TPHRHP-2/2/bf3660141ac174abe19b12316c4366b3}, author = {R. M. Pinto and A. A. Dias and M. L. Costa} } @article {8136, title = {X-ray energies of circular transitions and electron screening in kaonic atoms}, journal = {Physical Review A}, volume = {71}, number = {3}, year = {2005}, note = {

doi:10.1103/PhysRevA.71.032501PACS: 36.10.Gv, 32.30.RjJPS-Ref24

}, pages = {032501 EP -}, publisher = {American Physical Society}, abstract = {

The QED contribution to the energies of the circular (n, = n{\textendash}1), 2n13, transitions have been calculated for several kaonic atoms throughout the periodic table, using the current world-average kaon mass. Calculations were done in the framework of the Klein-Gordon equation, with finite nuclear size, finite particle size, and all-order Uelhing vacuum polarization corrections, as well as K{\"a}ll{\'e}n and Sabry and Wichmann and Kroll corrections. These energy level values are compared with other computed values. The circular transition energies are compared with available measured and theoretical transition energies. Electron screening is evaluated using a Dirac-Fock model for the electronic part of the wave function. The effect of electronic wave-function correlation is evaluated.Exo

}, url = {http://link.aps.org/doi/10.1103/PhysRevA.71.032501}, author = {J P Santos and F. Parente and S. Boucard and J. P. Desclaux} } @article {218, title = {X-ray energies of circular transitions and electrons screening in kaonic atoms}, journal = {Physical Review A}, volume = {71}, number = {3}, year = {2005}, note = {doi:10.1103/PhysRevA.71.032501 PACS: 36.10.Gv, 32.30.Rj}, pages = {032501}, abstract = {The QED contribution to the energies of the circular (n, = n{\textendash}1), 2n13, transitions have been calculated for several kaonic atoms throughout the periodic table, using the current world-average kaon mass. Calculations were done in the framework of the Klein-Gordon equation, with finite nuclear size, finite particle size, and all-order Uelhing vacuum polarization corrections, as well as K{\"a}ll{\'e}n and Sabry and Wichmann and Kroll corrections. These energy level values are compared with other computed values. The circular transition energies are compared with available measured and theoretical transition energies. Electron screening is evaluated using a Dirac-Fock model for the electronic part of the wave function. The effect of electronic wave-function correlation is evaluated.}, keywords = {32.30.Rj, PACS: 36.10.Gv}, url = {URL: http://link.aps.org/abstract/PRA/v71/e032501}, author = {J P Santos and F. Parente and S. Boucard and P. Indelicato and J. P. Desclaux} } @article {Monteiro:2018hba, title = {{On the double peak structure of avalanche photodiode response to monoenergetic x-rays at various temperatures and bias voltages}}, journal = {J. Inst.}, volume = {13}, number = {01}, year = {2018}, note = {n/a}, pages = {C01033{\textendash}C01033}, abstract = {n/a}, author = {Monteiro, C M B and Amaro, F D and Sousa, M S and Abdou-Ahmed, M and P Amaro and Biraben, F. and Chen, T. and Covita, D S and Dax, A J and Diepold, M and Fernandes, L M P and Franke, B and Galtier, S and Gouv{\^e}a, A L and G{\"o}tzfried, J and Graf, T and Hansch, T W and Hildebrandt, M and P. Indelicato and Julien, L. and Kirch, K and Knecht, A and Kottmann, F and Krauth, J J and Liu, Y. and Machado, J and Mulhauser, F and Naar, B and Nebel, T and Nez, F. and Pohl, R and J P Santos and Santos, J M F dos and Schuhmann, K and Szabo, C. I. and Taqqu, D and Veloso, J F C A and Antognini, A} }