Calculation of molecular polarizabilities using an anisotropic atom point dipole interaction model which includes the effect of electron repulsion
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[1] William H. Orttung,et al. DIRECT SOLUTION OF THE POISSON EQUATION FOR BIOMOLECULES OF ARBITRARY SHAPE, POLARIZABILITY DENSITY, AND CHARGE DISTRIBUTION , 1977 .
[2] J. Applequist,et al. An atom dipole interaction model for molecular optical properties , 1977 .
[3] J. Applequist,et al. Calculation of Raman scattering parameters for methane and halomethanes from an atom dipole interaction model , 1977 .
[4] J. Applequist,et al. On the polarizability theory of optical rotation , 1973 .
[5] David L. Beveridge,et al. Approximate molecular orbital theory , 1970 .
[6] A. Schweig,et al. Calculation of excited singlet and triplet state polarizabilities using the CNDO/S CI method. An application to naphthalene , 1975 .
[7] J. Pople,et al. Approximate Self‐Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems , 1966 .
[8] K. Sundberg. An atom–dipole interaction theory of the hyperpolarizability contribution to the optical activity of molecules , 1978 .
[9] L. C. Allen. Quantum Theory of Structure and Dynamics , 1969 .
[10] A. D. McLean,et al. Higher Polarizabilities of Linear Molecules , 1967 .
[11] J. Applequist,et al. Dipole coupling effects of nonchromophoric groups in molecules on frequencies, dipole strengths, and rotational strengths of chromophoric groups , 1979 .
[12] J. M. Sichel,et al. Atomic parameters for semi-empirical SCF-LCAO-MO calculations , 1967 .
[13] A. Schweig. Dipole moments and polarizabilities in excited singlet states and the generalized Hellmann-Fernman theorem , 1969 .
[14] A. Proutière,et al. Molecular electrostatics. Quantitative prediction of molecular electrooptical properties. Application to alkanes and alkyl chlorides , 1978 .
[15] L. Silberstein,et al. VII. Molecular refractivity and atomic interaction , 1917 .
[16] N. Hush,et al. Finite-perturbation SCF valence-shell calculations of molecular polarizability and hyperpolarizability components , 1970 .
[17] H. A. Stuart. Die Struktur des Freien Moleküls , 1952 .
[18] J. R. Carl,et al. Atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities , 1972 .
[19] K. Sundberg,et al. An atom monopole–dipole interaction model with charge transfer for the treatment of polarizabilities of π‐bonded molecules. , 1978 .