Non-empirical molecular orbital theory of the electronic structure of molecular crystals Sèamus F. O'SheaDavid P. Santry OriginalPaper Pages: 1 - 16
Etudes quantiques sur la conformation de la valinomycine et de ses éléments constitutifs Bernard MaigretBernard Pullman OriginalPaper Pages: 17 - 36
Méthode de Hückel étendue aux électrons de valence s, p, d Alain BotrelPascal DiboutRoland Lissillour OriginalPaper Pages: 37 - 46
Inner-shell Eigenvalues from valence orbital only calculations Aba HartmanMichael C. Zerner OriginalPaper Pages: 47 - 65
Semiempirical calculation of harmonic force constants: CNDO/2 and MINDO/2 study of C2H6, C2H4 and C2H2 Kornélia KozmutzaPéter Pulay OriginalPaper Pages: 67 - 75
Effects of anharmonicity on non-radiative transitions in polyatomic molecules Noriyuki ShimakuraYuichi FujimuraTakeshi Nakajima OriginalPaper Pages: 77 - 88