共 50 条
- [32] NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM THEORETICA CHIMICA ACTA, 1966, 6 (03): : 191 - &
- [33] NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .2. PRELIMINARY INVESTIGATIONS ON FORMYL FLUORIDE THEORETICA CHIMICA ACTA, 1966, 6 (03): : 217 - +
- [34] THE ELECTRONIC BAND-STRUCTURE AND NON-EMPIRICAL CALCULATIONS OF COHESIVE PROPERTIES OF REFRACTORY COMPOUNDS PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1989, 151 (02): : 407 - 440
- [35] ALL-ELECTRON SCF LCAO MO CALCULATIONS ON VARIOUS CONFORMATIONS OF CIS-STILBENE AND TRANS-STILBENE THEORETICA CHIMICA ACTA, 1978, 48 (01): : 37 - 45
- [36] SEMI-EMPIRICAL ALL-VALENCE-ELECTRON SCF CALCULATIONS OF ACIDITIES OF CYCLOALKANES THEORETICA CHIMICA ACTA, 1970, 17 (03): : 165 - &
- [38] NON-EMPIRICAL VALENCE-ELECTRON CALCULATIONS ON DIATOMIC HALOGENS AND INTER-HALOGENS JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1976, 72 : 571 - 578