共 50 条
- [31] CALCULATION OF POLAR SUBSTITUENT PARAMETERS BY AB-INITIO MOLECULAR-ORBITAL METHODS - PROTON AFFINITIES OF SUBSTITUTED PRIMARY AMINESJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (23) : 7438 - 7440TAAGEPERA, MHEHRE, WJTOPSOM, RDTAFT, RW
- [32] AB-INITIO AND INDO MOLECULAR-ORBITAL CALCULATIONS OF GEOMETRIES AND ELECTRONIC-STRUCTURES OF SUBSTITUTED SULFINESTETRAHEDRON, 1977, 33 (05) : 539 - 545VANLIEROP, JVANDERAVOIRD, A
- [33] APPLICATION OF SELF-CONSISTENT MOLECULAR ORBITAL METHODS TO PI-ELECTRONSJOURNAL OF PHYSICAL CHEMISTRY, 1957, 61 (01): : 6 - 10POPLE, JA
- [34] RELATIVISTIC SELF-CONSISTENT MOLECULAR-ORBITAL CALCULATION FOR UF6CHEMISTRY LETTERS, 1977, (02) : 109 - 112KIM, BADACHI, HIMOTO, S
- [35] SIMULATED AB-INITIO MOLECULAR-ORBITAL TECHNIQUE .5. POLAR GROUPS, IONIC MOLECULES AND ORTHOGONALIZED BASIS SETSJOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 : 1401 - 1410DUKE, BJPICKERING, MOLEARY, BEILERS, JE
- [36] AB-INITIO CALCULATIONS OF HARMONIC FORCE CONSTANTS .3. AN EXACT CALCULATION OF H2+ FORCE CONSTANTJOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04): : 1541 - &BISHOP, DM
- [37] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .11. MOLECULAR ORBITAL THEORY OF NMR CHEMICAL SHIFTSJOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10): : 4186 - +DITCHFIELD, RMILLER, DPPOPLE, JA
- [38] AB-INITIO SELF-CONSISTENT FIELD CALCULATION OF ENERGIES OF FORMATION OF B2H6 AND B2H7INORGANIC CHEMISTRY, 1972, 11 (12) : 3126 - &HALL, JHMARYNICK, DSLIPSCOMB, WN
- [39] STUDY USING METHOD OF NON-EMPIRICAL (AB-INITIO) SELF-CONSISTENT MOLECULAR FIELD OF PREFERENTIAL CONFORMATIONS OF GLYCYL AND ALANYL RESIDUESCOMPTES RENDUS HEBDOMADAIRES DES SEANCES DE L ACADEMIE DES SCIENCES SERIE D, 1973, 277 (19): : 2077 - 2079PULLMAN, ABERTHOD, H
- [40] ACCELERATION OF SELF-CONSISTENT FIELD CONVERGENCE IN SEMIEMPIRICAL MOLECULAR-ORBITAL METHODSINDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 1991, 30 (09): : 739 - 744DUNCAN, RH