共 50 条
- [1] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON ACIDIC HYDROCARBONSJOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1969, (10): : 1513 - &LO, DHWHITEHEA.MA
- [2] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS ON SOME TAUTOMERS OF CYTOSINETHEORETICA CHIMICA ACTA, 1971, 23 (02): : 138 - &BREEN, DLFLURRY, RL
- [3] SEMI-EMPIRICAL MOLECULAR-ORBITAL CALCULATIONS ON TUBERCOSTATIC THIOAMIDESABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1988, 196 : 10 - COMPKEYS, RTINANOUCCI, IVALDEZ, C
- [4] Semi-empirical calculations for the electronic structure of Schiff baseASIAN JOURNAL OF CHEMISTRY, 2001, 13 (01) : 372 - 374Tandon, HC
- [5] COUNTERINTUITIVE ORBITAL MIXING IN SEMI-EMPIRICAL AND ABINITIO MOLECULAR-ORBITAL CALCULATIONSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (12) : 3686 - 3692AMMETER, JHBURGI, HBTHIBEAULT, JCHOFFMANN, R
- [6] CALCULATIONS ON THE ELECTRONIC SPECTRA OF TRANS-BUTADIENE BY A SEMI-EMPIRICAL MOLECULAR-ORBITAL APPROXIMATIONJOURNAL OF THE CHEMICAL SOCIETY, 1954, (OCT): : 3455 - 3461MOSER, CM
- [7] Quartet states of the acetylene cation: Electronic structure calculations and spin-orbit coupling termsJOURNAL OF CHEMICAL PHYSICS, 2006, 125 (21):Hochlaf, M.Taylor, S.Eland, J. H. D.
- [8] SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS .2. NONBONDING ORBITAL ELECTRONIC SPECTRUM AND SPIN-ORBIT COUPLING IN X2CO MOLECULESJOURNAL OF CHEMICAL PHYSICS, 1966, 45 (08): : 2777 - +CARROLL, DGVANQUICKENBORNE, LGMCGLYNN, SP
- [9] SEMI-EMPIRICAL MOLECULAR ORBITAL COMPUTATIONS .7. ELECTRONIC STRUCTURE OF VANADYL PENTAHYDRATETHEORETICA CHIMICA ACTA, 1968, 9 (05): : 390 - +VANQUICKENBORNE, LGMCGLYNN, SP
- [10] SEMI-EMPIRICAL MOLECULAR ORBITAL CALCULATIONS OF CU(2) CHLORIDE SPECTRAABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1969, (APR): : I163 - &SCHLUETE.AWMCQUIRTE.WJACOBSON, RA