共 50 条
- [41] SEMI-EMPIRICAL MOLECULAR ORBITAL STUDIES OF NEUTRAL PORPHIN PH2 DIANION P2- AND DICATION PH42+ACTA CHEMICA SCANDINAVICA, 1968, 22 (04): : 1317 - &SUNDBOM, M
- [42] The interaction of carbohydrates and amino acids with aromatic systems studied by density functional and semi-empirical molecular orbital calculations with dispersion correctionsPHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (19) : 2767 - 2774Sharma, RamanMcNamara, Jonathan P.Raju, Rajesh K.Vincent, Mark A.Hillier, Ian H.Morgado, Claudio A.
- [43] QSAR of molecular structure and cytotoxic activity of 1,2,3,4-tetrahydroisoquinolins by semi-empirical molecular orbitalJOURNAL OF PHARMACOLOGICAL SCIENCES, 2009, 109 : 173P - 173PIshihara, MarikoSakagami, Hiroshi
- [44] A SEMI-EMPIRICAL MOLECULAR THEORY OF LIQUIDSINDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1981, 19 (08) : 721 - 723PURKAIT, ARMAJUMDAR, DK
- [45] LARGE UNIT-CELL SEMI-EMPIRICAL MOLECULAR-ORBITAL APPROACH TO THE PROPERTIES OF SOLIDS .2. COVALENT MATERIALS - DIAMOND AND SILICONJOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1979, 12 (13): : 2497 - 2508HARKER, AHLARKINS, FP
- [46] SEMI-EMPIRICAL CALCULATION OF ENERGY OF FORMATION OF HYDROCARBONS AND RADICALSTHEORETICA CHIMICA ACTA, 1966, 5 (03): : 192 - &LORQUET, AJ
- [47] CHEMISORPTION OF HYDROGEN ON DIFFERENT PLANES OF GRAPHITE - A SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONSURFACE SCIENCE, 1989, 216 (03) : 481 - 488CHEN, JPYANG, RT
- [48] Ozonolysis of methyl, amino and nitro substituted ethenes: A semi-empirical molecular orbital studyJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 860 (1-3): : 150 - 160Kharbuli, A. MunafLyngdoh, R. H. Duncan
- [49] CITATION CLASSIC - RAPID GEOMETRY OPTIMIZATION FOR SEMI-EMPIRICAL MOLECULAR-ORBITAL METHODSCURRENT CONTENTS/ENGINEERING TECHNOLOGY & APPLIED SCIENCES, 1988, (15): : 16 - 16MCIVER, JW
- [50] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATION OF ATOM-PAIR INTERACTIONS IN A MOLECULEJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (05) : 1087 - 1094CHUNGPHILLIPS, A