화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Density functional theory calculation of K-shell excitation of nitrous oxide
Chong DP
Chemical Physics Letters, 441(4-6), 209, 2007
2 Density functional theory calculation of electron spectra of formaldehyde
Chong DP, Takahata Y
Chemical Physics Letters, 418(1-3), 286, 2006
3 Analysis of electron spectra of carbon allotropes (diamond, graphite, fullerene) by density functional theory calculations using the model molecules
Endo K, Koizumi S, Otsuka T, Ida T, Morohashi T, Onoe J, Nakao A, Kurmaev EZ, Moewes A, Chong DP
Journal of Physical Chemistry A, 107(44), 9403, 2003
4 Theoretical Auger electron and X-ray emission spectra of CO and H2O by density functional theory calculations
Otsuka T, Chong DP, Maki J, Kawabe H, Endo K
Chemical Physics Letters, 352(5-6), 511, 2002
5 Time-dependent density functional study of the static second hyperpolarizability of BB-, NN- and BN-substituted C-60
Jensen L, van Duijnen PT, Snijders JG, Chong DP
Chemical Physics Letters, 359(5-6), 524, 2002
6 Interpretation of the Kohn-Sham orbital energies as approximate vertical ionization potentials
Chong DP, Gritsenko OV, Baerends EJ
Journal of Chemical Physics, 116(5), 1760, 2002
7 DFT calculations of core-electron binding energies of the peptide bond
Chong DP, Aplincourt P, Bureau C
Journal of Physical Chemistry A, 106(2), 356, 2002
8 Ring hydrolysis in the electro-oxidation of pyrrolidone analogues
Bureau C, Doneux C, Charlier J, Anthoine JL, Chong DP
Journal of Electroanalytical Chemistry, 502(1-2), 58, 2001
9 Accurate density functional calculations of core electron binding energies on hydrogen-bonded systems
Aplincourt P, Bureau C, Anthoine JL, Chong DP
Journal of Physical Chemistry A, 105(31), 7364, 2001
10 Accurate density-functional calculation of core-electron binding energies by a total-energy difference approach
Cavigliasso G, Chong DP
Journal of Chemical Physics, 111(21), 9485, 1999