363 related articles for article (PubMed ID: 23835492)
1. The Be K-edge in beryllium oxide and chalcogenides: soft x-ray absorption spectra from first-principles theory and experiment.
Olovsson W; Weinhardt L; Fuchs O; Tanaka I; Puschnig P; Umbach E; Heske C; Draxl C
J Phys Condens Matter; 2013 Aug; 25(31):315501. PubMed ID: 23835492
[TBL] [Abstract][Full Text] [Related]
2. Near-edge structures from first principles all-electron Bethe-Salpeter equation calculations.
Olovsson W; Tanaka I; Puschnig P; Ambrosch-Draxl C
J Phys Condens Matter; 2009 Mar; 21(10):104205. PubMed ID: 21817425
[TBL] [Abstract][Full Text] [Related]
3. Resonant inelastic x-ray scattering and UV-VUV luminescence at the Be 1s edge in BeO.
Kikas A; Käämbre T; Kooser K; Kuusik I; Kisand V; Nõmmiste E; Kirm M; Feldbach E; Ivanov V; Pustovarov V; Martinson I
J Phys Condens Matter; 2010 Sep; 22(37):375505. PubMed ID: 21403201
[TBL] [Abstract][Full Text] [Related]
4. Contribution of molecular dynamics simulations and ab initio calculations to the interpretation of Mg K-edge experimental XANES in K(2)O-MgO-3SiO(2) glass.
Trcera N; Rossano S; Madjer K; Cabaret D
J Phys Condens Matter; 2011 Jun; 23(25):255401. PubMed ID: 21654046
[TBL] [Abstract][Full Text] [Related]
5. Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory.
Rocca D; Lu D; Galli G
J Chem Phys; 2010 Oct; 133(16):164109. PubMed ID: 21033777
[TBL] [Abstract][Full Text] [Related]
6. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: application to transition metal L-edge X-ray absorption spectroscopy.
Roemelt M; Maganas D; DeBeer S; Neese F
J Chem Phys; 2013 May; 138(20):204101. PubMed ID: 23742448
[TBL] [Abstract][Full Text] [Related]
7. First-principles calculations of X-ray absorption spectra at the K-edge of 3d transition metals: an electronic structure analysis of the pre-edge.
Cabaret D; Bordage A; Juhin A; Arfaoui M; Gaudry E
Phys Chem Chem Phys; 2010 Jun; 12(21):5619-33. PubMed ID: 20431827
[TBL] [Abstract][Full Text] [Related]
8. Bethe-Salpeter equation calculations of core excitation spectra.
Vinson J; Rehr JJ; Kas JJ; Shirley EL
Phys Rev B Condens Matter Mater Phys; 2011; 83():. PubMed ID: 31080344
[TBL] [Abstract][Full Text] [Related]
9. Fundamental state quantities and high-pressure phase transition in beryllium chalcogenides.
Berghout A; Zaoui A; Hugel J
J Phys Condens Matter; 2006 Nov; 18(46):10365-75. PubMed ID: 21690923
[TBL] [Abstract][Full Text] [Related]
10. First-principles calculations of x-ray absorption near edge structure and energy loss near edge structure: present and future.
Tanaka I; Mizoguchi T
J Phys Condens Matter; 2009 Mar; 21(10):104201. PubMed ID: 21817421
[TBL] [Abstract][Full Text] [Related]
11. Bethe-Salpeter equation insights into the photo-absorption function and exciton structure of chlorophyll a and b in light-harvesting complex II.
Li J; Olevano V
J Photochem Photobiol B; 2022 Jul; 232():112475. PubMed ID: 35644069
[TBL] [Abstract][Full Text] [Related]
12. Pyrimidine and halogenated pyrimidines near edge x-ray absorption fine structure spectra at C and N K-edges: experiment and theory.
Bolognesi P; O'Keeffe P; Ovcharenko Y; Coreno M; Avaldi L; Feyer V; Plekan O; Prince KC; Zhang W; Carravetta V
J Chem Phys; 2010 Jul; 133(3):034302. PubMed ID: 20649325
[TBL] [Abstract][Full Text] [Related]
13. Quantitative first-principles calculations of valence and core excitation spectra of solid C
Fossard F; Hug G; Gilmore K; Kas JJ; Rehr JJ; Vila FD; Shirley EL
Phys Rev B; 2017 Mar; 95(11):. PubMed ID: 28819652
[TBL] [Abstract][Full Text] [Related]
14. Tautomerism in cytosine and uracil: a theoretical and experimental X-ray absorption and resonant auger study.
Feyer V; Plekan O; Richter R; Coreno M; de Simone M; Prince KC; Trofimov AB; Zaytseva IL; Schirmer J
J Phys Chem A; 2010 Sep; 114(37):10270-6. PubMed ID: 20795686
[TBL] [Abstract][Full Text] [Related]
15. Exploring the impact of ions on oxygen K-edge X-ray absorption spectroscopy in NaCl solution using the GW-Bethe-Salpeter-equation approach.
Tang F; Shi K; Wu X
J Chem Phys; 2023 Nov; 159(17):. PubMed ID: 37909453
[TBL] [Abstract][Full Text] [Related]
16. An experimental and theoretical core-level study of tautomerism in guanine.
Plekan O; Feyer V; Richter R; Coreno M; Vall-Llosera G; Prince KC; Trofimov AB; Zaytseva IL; Moskovskaya TE; Gromov EV; Schirmer J
J Phys Chem A; 2009 Aug; 113(33):9376-85. PubMed ID: 19634878
[TBL] [Abstract][Full Text] [Related]
17. Sulfur 1s near edge x-ray absorption fine structure spectroscopy of thiophenic and aromatic thioether compounds.
Behyan S; Hu Y; Urquhart SG
J Chem Phys; 2013 Jun; 138(21):214302. PubMed ID: 23758366
[TBL] [Abstract][Full Text] [Related]
18. Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory.
Gulans A; Kontur S; Meisenbichler C; Nabok D; Pavone P; Rigamonti S; Sagmeister S; Werner U; Draxl C
J Phys Condens Matter; 2014 Sep; 26(36):363202. PubMed ID: 25135665
[TBL] [Abstract][Full Text] [Related]
19. Sulfur 1s near-edge x-ray absorption fine structure (NEXAFS) of thiol and thioether compounds.
Beyhan S; Hu Y; Urquhart SG
J Chem Phys; 2011 Jun; 134(24):244304. PubMed ID: 21721627
[TBL] [Abstract][Full Text] [Related]
20. First-principles study on core-level spectroscopy of arginine in gas and solid phases.
Li H; Hua W; Lin Z; Luo Y
J Phys Chem B; 2012 Oct; 116(42):12641-50. PubMed ID: 23016930
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
