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Research article

First published 2010-5

Enhanced first hyperpolarizability of donor-acceptor diethynylsilane oligomers

R.A. Brennand, A.E. de A. Machado

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

First hyperpolarizability of 6-vertex carboranes 2. DFT study of NH 2 /NO 2 -substituted 1,2-closo-dicarbahexaboranes

Kyrill Yu Suponitsky, Tatiana V. Timofeeva

Journal of Computational Methods in Sciences and Engineering

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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 2008-7

First hyperpolarizability of donor-acceptor substituted aromatic backbone molecular systems: Effect of dihedral angle and excitation energy

Diksha Makwani, R. Vijaya

Journal of Computational Methods in Sciences and Engineering

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Research article

First published 2010-5

Sum frequency generation in chiral carbon nanotubes

L. De Dominicis

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

First-principle study on polarizability and hyperpolarizability of a transition metal cluster,[Mo 2 S 3 (C 6 H 11 ) 3 (CO) 6 ]·N(C 2 H 3 ) 4

Kechen Wu, Ping Liu, Zhangfeng Zhou [...]

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 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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