화학공학소재연구정보센터
검색결과 : 30건
No. Article
1 Highly compact wave functions for He-like systems
Harris FE, Smith VH
Journal of Physical Chemistry A, 109(50), 11413, 2005
2 Structure, vibrational, and electronic spectra of heterofullerene C-48(BN)(6)
Manaa MR, Xie RH, Smith VH
Chemical Physics Letters, 387(1-3), 101, 2004
3 Comment on "Analysis of some integrals arising in the atomic four-electron problem"
Harris FE, Frolov AM, Smith VH
Journal of Chemical Physics, 120(6), 3040, 2004
4 Excitations, optical absorption spectra, and optical excitonic gaps of heterofullerenes. 1. C-60, C59N+, and C48N12: Theory and experiment
Xie RH, Bryant GW, Sun GY, Nicklaus MC, Heringer D, Frauenheim T, Manaa MR, Smith VH, Araki Y, Ito O
Journal of Chemical Physics, 120(11), 5133, 2004
5 Highly accurate evaluation of atomic three-electron integrals of lowest orders
Harris FE, Frolov AM, Smith VH
Journal of Chemical Physics, 120(21), 9974, 2004
6 Optical excitation and absorption spectra of C50Cl10
Xie RH, Bryant GW, Cheung CF, Smith VH, Zhao JJ
Journal of Chemical Physics, 121(7), 2849, 2004
7 Singular and nonsingular three-body integrals for exponential wave functions
Harris FE, Frolov AM, Smith VH
Journal of Chemical Physics, 121(13), 6323, 2004
8 Electronic, vibrational and magnetic properties of a novel C48N12 aza-fullerene
Xie RH, Bryant GW, Smith VH
Chemical Physics Letters, 368(3-4), 486, 2003
9 Structural, electronic, and magnetic properties of heterofullerene C48B12
Xie RH, Jensen L, Bryant GW, Zhao JJ, Smith VH
Chemical Physics Letters, 375(5-6), 445, 2003
10 Solvation structure, thermodynamics, and conformational dependence of alanine dipeptide in aqueous solution analyzed with reference interaction site model theory
Cui QZ, Smith VH
Journal of Chemical Physics, 118(1), 279, 2003