Works matching IS 01928651 AND DT 2002 AND VI 23 AND IP 10
Results: 8
Intensity-carrying modes important for vibrational polarizabilities and hyperpolarizabilities of molecules: Derivation from the algebraic properties of formulas and applications.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 997, doi. 10.1002/jcc.10097
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Can we understand the different coordinations and structures of closed-shell metal cation-water clusters?
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 1013, doi. 10.1002/jcc.10063
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Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 977, doi. 10.1002/jcc.10051
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Ab initio study on the photochemical behavior of styrene.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 950, doi. 10.1002/jcc.10078
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Exact Gaussian expansions of Slater-type atomic orbitals.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 1007, doi. 10.1002/jcc.10090
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Ab Initio calculations of the stabilization energies of the conformational and the structural isomers of C<sub>3</sub>H<sub>7</sub>X where X = F, Cl, and Br.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 966, doi. 10.1002/jcc.10047
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Intruder state avoidance multireference Møller-Plesset perturbation theory.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 957, doi. 10.1002/jcc.10098
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Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems.
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- Journal of Computational Chemistry, 2002, v. 23, n. 10, p. 943, doi. 10.1002/jcc.10094
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- Article