APPROXIMATIONS TO SELF-CONSISTENT FIELD MOLECULAR WAVEFUNCTIONS

[1] LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) : 5178 - &

[2] SELF-CONSISTENT PERTURBATION THEORY OF NUCLEAR SPIN-COUPLING CONSTANTS - APPLICATION TO COUPLINGS INVOLVING CARBON AND FLUORINE [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 950 - &

[3] ORTHOGONALIZATION PROCEDURES AND THE LOCALIZATION OF WANNIER FUNCTIONS [J]. PHYSICAL REVIEW, 1957, 105 (01): : 102 - 103

[4] ZERO-POINT VIBRATIONAL CORRECTIONS TO ONE-ELECTRON PROPERTIES OF WATER MOLECULE IN NEAR-HARTREE-FOCK LIMIT [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) : 4851 - &

[5] DEDUCTION OF ZERO DIFFERENTIAL OVERLAP APPROXIMATION FROM AN ORTHOGONAL ATOMIC ORBITAL BASIS [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) : 1962 - +

[6] ELECTRIC DIPOLE MOMENT OF DIATOMIC MOLECULES BY CONFIGURATION INTERACTION .1. CLOSED-SHELL MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (03) : 827 - &

[7] WATER MOLECULE INTERACTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) : 4544 - +

[8] HERBELIN JM, 1971, J AM CHEM SOC, V93, P2565, DOI 10.1021/ja00739a051

[9] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) : 6377 - +

[10] LEHN JM, 1971, CONFORMATIONAL ANALY, P129

[1] LIMITED EXPANSION OF DIATOMIC OVERLAP (LEDO) - NEAR-ACCURATE APPROXIMATE AB-INITIO LCAO MO METHOD .1. THEORY AND PRELIMINARY INVESTIGATIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) : 5178 - &

[2] SELF-CONSISTENT PERTURBATION THEORY OF NUCLEAR SPIN-COUPLING CONSTANTS - APPLICATION TO COUPLINGS INVOLVING CARBON AND FLUORINE [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 950 - &

[3] ORTHOGONALIZATION PROCEDURES AND THE LOCALIZATION OF WANNIER FUNCTIONS [J]. PHYSICAL REVIEW, 1957, 105 (01): : 102 - 103

[4] ZERO-POINT VIBRATIONAL CORRECTIONS TO ONE-ELECTRON PROPERTIES OF WATER MOLECULE IN NEAR-HARTREE-FOCK LIMIT [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) : 4851 - &

[5] DEDUCTION OF ZERO DIFFERENTIAL OVERLAP APPROXIMATION FROM AN ORTHOGONAL ATOMIC ORBITAL BASIS [J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) : 1962 - +

[6] ELECTRIC DIPOLE MOMENT OF DIATOMIC MOLECULES BY CONFIGURATION INTERACTION .1. CLOSED-SHELL MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (03) : 827 - &

[7] WATER MOLECULE INTERACTIONS [J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) : 4544 - +

[8] HERBELIN JM, 1971, J AM CHEM SOC, V93, P2565, DOI 10.1021/ja00739a051

[9] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .10. SYSTEMATIC STUDY OF GEOMETRIES AND ENERGIES OF AHN MOLECULES AND CATIONS [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (24) : 6377 - +

[10] LEHN JM, 1971, CONFORMATIONAL ANALY, P129