ANHARMONIC-FORCE FIELDS FROM ABINITIO CALCULATIONS

[1] VIBRATIONAL FREQUENCIES FROM ANHARMONIC ABINITIO-EMPIRICAL POTENTIAL-ENERGY FUNCTIONS .1. METHOD AND APPLICATION TO H2O, HNO, HOF AND HOC1 [J]. CHEMICAL PHYSICS, 1979, 40 (1-2) : 33 - 44

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +

[3] DITCHFIELD R, 1972, J CHEM PHYS, V56, P2257

[4] THEORETICAL DIPOLE-MOMENT DERIVATIVES AND FORCE CONSTANTS FOR HCN [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) : 1425 - 1428

[5] NEAR-HARTREE-FOCK CALCULATIONS OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES IN METHANE [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2109 - &

[6] PNO-CL AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .3. SPECTROSCOPIC CONSTANTS AND DIPOLE-MOMENT FUNCTIONS FOR GROUND-STATES OF FIRST-ROW AND SECOND-ROW DIATOMIC HYDRIDES [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) : 2356 - 2375

[7] ANHARMONIC POTENTIAL CONSTANTS AND VIBRATIONAL AND ROTATIONAL PARAMETERS FOR HYDROGEN CYANIDE [J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1969, 42 (08) : 2212 - +

[8] ABINITIO CALCULATIONS OF VIBRATIONAL PROPERTIES OF SOME LINEAR TRIATOMIC-MOLECULES .1. INTENSITIES [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (14) : 1998 - 2007

[9] ABINITIO CALCULATION OF FORCE CONSTANTS FOR LINEAR MOLECULES HCN, FCN, (CN)2 AND ION N2F+ [J]. MOLECULAR PHYSICS, 1975, 30 (04) : 1123 - 1131

[10] COMPARISON OF EXPERIMENTALLY DERIVED AND THEORETICALLY CALCULATED DERIVATIVES OF ENERGY KINETIC ENERGY AND POTENTIAL ENERGY FOR CO [J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 2115 - +

[1] VIBRATIONAL FREQUENCIES FROM ANHARMONIC ABINITIO-EMPIRICAL POTENTIAL-ENERGY FUNCTIONS .1. METHOD AND APPLICATION TO H2O, HNO, HOF AND HOC1 [J]. CHEMICAL PHYSICS, 1979, 40 (1-2) : 33 - 44

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +

[3] DITCHFIELD R, 1972, J CHEM PHYS, V56, P2257

[4] THEORETICAL DIPOLE-MOMENT DERIVATIVES AND FORCE CONSTANTS FOR HCN [J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) : 1425 - 1428

[5] NEAR-HARTREE-FOCK CALCULATIONS OF FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES IN METHANE [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2109 - &

[6] PNO-CL AND CEPA STUDIES OF ELECTRON CORRELATION EFFECTS .3. SPECTROSCOPIC CONSTANTS AND DIPOLE-MOMENT FUNCTIONS FOR GROUND-STATES OF FIRST-ROW AND SECOND-ROW DIATOMIC HYDRIDES [J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) : 2356 - 2375

[7] ANHARMONIC POTENTIAL CONSTANTS AND VIBRATIONAL AND ROTATIONAL PARAMETERS FOR HYDROGEN CYANIDE [J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1969, 42 (08) : 2212 - +

[8] ABINITIO CALCULATIONS OF VIBRATIONAL PROPERTIES OF SOME LINEAR TRIATOMIC-MOLECULES .1. INTENSITIES [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (14) : 1998 - 2007

[9] ABINITIO CALCULATION OF FORCE CONSTANTS FOR LINEAR MOLECULES HCN, FCN, (CN)2 AND ION N2F+ [J]. MOLECULAR PHYSICS, 1975, 30 (04) : 1123 - 1131

[10] COMPARISON OF EXPERIMENTALLY DERIVED AND THEORETICALLY CALCULATED DERIVATIVES OF ENERGY KINETIC ENERGY AND POTENTIAL ENERGY FOR CO [J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 2115 - +