共 50 条
- [31] Electronic structure of thiophene oligomer dications: An alternative interpretation from the spin-unrestricted DFT studyJOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (21): : 5380 - 5384Gao, YLiu, CGJiang, YS
- [32] INDO MOLECULAR-ORBITAL STUDY OF ALPHA-HETEROATOM NITRENESJOURNAL OF ORGANIC CHEMISTRY, 1972, 37 (24): : 3924 - &HAYES, LJTRINDLE, CBILLINGS.FP
- [33] RESTRICTION OF SPIN CONTAMINATION IN UNRESTRICTED HARTREE FOCK WAVE FUNCTIONSTHEORETICA CHIMICA ACTA, 1970, 16 (05): : 346 - &CLAXTON, TA
- [34] INDO MOLECULAR-ORBITAL APPROACH TO PROTON AFFINITY OF OXYGENATED COMPOUNDSBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1976, 49 (02) : 480 - 486OHKUBO, KTSUCHIHASHI, KYOSHIDA, TOKADA, M
- [36] CONFORMATIONAL-ANALYSIS OF DOPAMINE BY INDO MOLECULAR-ORBITAL METHODJOURNAL OF PHARMACY AND PHARMACOLOGY, 1977, 29 (03) : 153 - 156GROL, CJROLLEMA, H
- [37] MOLECULAR-ORBITAL CALCULATION OF SPIN-ORBIT SPLITTINGS IN SOME HALOGENO-COMPOUNDSJOURNAL OF MOLECULAR STRUCTURE, 1981, 72 (MAR) : 177 - 181LISKA, MPELIKAN, PCERNAY, PNAGY, LT
- [38] GROUND-STATE SPIN OF SOME MOLECULES WITH UNUSUAL HUCKEL MOLECULAR-ORBITAL DEGENERACYTETRAHEDRON LETTERS, 1991, 32 (35) : 4601 - 4602RADHAKRISHNAN, TP
- [39] PHENYLETHYNYL - MATRIX-ISOLATION ELECTRON-SPIN RESONANCE AND MOLECULAR-ORBITAL STUDYJOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (24): : 5932 - 5934KASAI, PHMCBAY, HC
- [40] MOLECULAR-ORBITAL CALCULATIONS OF STABILITY AND SPIN DENSITY DISTRIBUTION IN POLYMERIC AROMATIC RADICAL IONSACTA CHEMICA SCANDINAVICA, 1972, 26 (02): : 444 - &KINELL, POLUND, A