AB-INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS - HYDROCARBON CHARACTERIZATIONS

[21] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) : 1397 - &

[22] THEORY OF POLYHEDRAL MOLECULES .1. PHYSICAL FACTORIZATIONS OF SECULAR EQUATION [J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (08) : 2179 - &

[23] HORSLEY JA, 1969, J CHEM PHYS, V50, P12

[24] Barriers to internal rotation in propane [J]. CHEMICAL PHYSICS LETTERS, 1967, 1 (06) : 247 - 248

[25] AB INITIO BOND-ORBITAL CALCULATIONS .2. AN IMPROVED PROCEDURE FOR SATURATED HYDROCARBONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) : 473 - &

[26] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2. [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &

[27] SOME CALCULATIONS ON ETHYLENE MOLECULE [J]. THEORETICA CHIMICA ACTA, 1969, 15 (01): : 12 - &

[28] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .4. HELIUM ADDUCT OF LITHIUM HYDRIDE, HELIH [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) : 2992 - &

[29] KISTIAKOWSKY GB, 1940, J CHEM PHYS, V8, P610

[30] Koopmans T., 1934, PHYSICA, V1, P104, DOI [10.1016/S0031-8914(34)90011-2, DOI 10.1016/S0031-8914(34)90011-2, 10.1016/s0031-8914(34)90011-2]

[21] AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) : 1397 - &

[22] THEORY OF POLYHEDRAL MOLECULES .1. PHYSICAL FACTORIZATIONS OF SECULAR EQUATION [J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (08) : 2179 - &

[23] HORSLEY JA, 1969, J CHEM PHYS, V50, P12

[24] Barriers to internal rotation in propane [J]. CHEMICAL PHYSICS LETTERS, 1967, 1 (06) : 247 - 248

[25] AB INITIO BOND-ORBITAL CALCULATIONS .2. AN IMPROVED PROCEDURE FOR SATURATED HYDROCARBONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) : 473 - &

[26] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2. [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &

[27] SOME CALCULATIONS ON ETHYLENE MOLECULE [J]. THEORETICA CHIMICA ACTA, 1969, 15 (01): : 12 - &

[28] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .4. HELIUM ADDUCT OF LITHIUM HYDRIDE, HELIH [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) : 2992 - &

[29] KISTIAKOWSKY GB, 1940, J CHEM PHYS, V8, P610

[30] Koopmans T., 1934, PHYSICA, V1, P104, DOI [10.1016/S0031-8914(34)90011-2, DOI 10.1016/S0031-8914(34)90011-2, 10.1016/s0031-8914(34)90011-2]