Concepedia

Measurement and prediction of the NEXAFS spectra of pyrimidine and purine and the dissociation following the core excitation

Yi-Shiue Lin, Huei-Ru Lin, Wei‐Lun Liu, Yuan T. Lee, Chien‐Ming Tseng, Chi‐Kung Ni, Chen-Lin Liu, Cheng‐Cheng Tsai, Jien‐Lian Chen, Wei‐Ping Hu

Chemical Physics Letters · 2015 · 26 citations · 24 references

DOI

Concepts

References

24

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

, , +16

Exchange-correlation potential with correct asymptotic behavior

Robert van Leeuwen, Evert Jan Baerends · Physical Review A · 1994 · 1.5K citations · Full text

, , +16

Calculations of near-edge x-ray-absorption spectra of gas-phase and chemisorbed molecules by means of density-functional and transition-potential theory

L. Triguero, Lars G. M. Pettersson, Hans Ågren · Physical review. B, Condensed matter · 1998 · 530 citations

, , +17

XPS and NEXAFS studies of aliphatic and aromatic amine species on functionalized surfaces

Nora Graf, Eda Yeğen, Andreas Lippitz et al. · Surface Science · 2009 · 466 citations

, , +16

Time dependent density functional theory of core electrons excitations

Mauro Stener, G. Fronzoni, Monica de Simone · Chemical Physics Letters · 2003 · 280 citations

, , +12