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Research article

First published 2004-8

Electronic and vibrational polarizability and first hyperpolarizability of charge transfer chromophores: Quantum chemistry investigation

Amar Saal, Ourida Ouamerali

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Dipole polarizability and second hyperpolarizability of difluoroacetylene: Basis set dependence and electron correlation effects

Miroslav Medveď, Benoît Champagne, Jozef Noga [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Electric dipole polarizability and hyperpolarizability of NCCN,NCCP,and PCCP

Tadeusz Pluta, Piotr Zerzucha

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2007-9

Static electric polarizability and hyperpolarizability of sodium clusters: The case of the sodium tetramer

Demetrios Xenides, George Maroulis

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2008-7

Vibrational versus electronic isotropic polarizability and first hyperpolarizability of a series of cis – Ru (II) – bipyridine complexes: A non-empirical investigation

Maammar Rekhis, Amar Saal, Carlo Adamo [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Rational Design of atomic Gaussian basis sets for Ab initio Calculations of the dipole polarizabilities and hyperpolarizabilities II. Moderate Size Basis Sets for the First-Row Atoms from B to F

Mikhail B. Zuev, Marina Yu. Balakina, Sergey E. Nefediev

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Rational Design of atomic gaussian basis sets for Ab initio calculations of the dipole polarizabilities and hyperpolarizabilities. I. Optimized polarization sets for the first-row atoms from B to F

Mikhail B. Zuev, Sergey E. Nefediev

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2009-5

Molecular electric properties of nitrogen heterocycles

F. Safinejad, M. Asghari-Khiavi

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2004-8

Ab initio determination of the interaction hyperpolarizability for the H-bond complex NH 3 -HF

Wu Di, Li Zhi-Ru, Ding Yi-Hong [...]

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2017-2

Physisorption of amino acids on TiO 2 : Changes in the nonlinear optical properties

Emildo Marcano, José Gregorio Cisneros, Johana Alayón [...]

Journal of Computational Methods in Sciences and Engineering

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