Proceedings of the XV Brazilian Symposium of Theoretical Chemistry: International Journal of Quantum Chemistry: Vol 110, No 11

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International Journal of Quantum Chemistry: Volume 110, Issue 11

Special Issue:Proceedings of the XV Brazilian Symposium of Theoretical Chemistry

Preface: Proceedings of the XV Brazilian Symposium of Theoretical Chemistry

Exploring the G3 method in the study of rotational barrier of some simple molecules

The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques

Correction(s) for this article

Erratum: The role of the frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques

Thermal rate coefficients calculation for the H⁺ + LiH reaction

Coupled cluster and configuration interaction quantum calculations of infrared fundamental intensities

Theoretical calculations of structures, energetics, and kinetics of O (³P) + CH₃OH reactions

Experimental and theoretical studies of 2-amino-3-methylimidazo[4,5-f]quinoline derivatives: Cooked-food mutagens

Search for new antimalarial compounds obtained from natural sources by molecular modeling

Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea

Solvatochromic shift of the π → π* transition in all-trans, cis-13, cis-11, cis-9, and cis-7 retinal isomers induced by water and methanol

Resonating valence-bond mechanism for the superconductivity in K₃C₆₀

Solvation of anionic water-soluble porphyrins: A computational study

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International Journal of Quantum Chemistry: Volume 110, Issue 11

Special Issue:Proceedings of the XV Brazilian Symposium of Theoretical Chemistry

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Preface: Proceedings of the XV Brazilian Symposium of Theoretical Chemistry

Exploring the G3 method in the study of rotational barrier of some simple molecules

The role of the Frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques

Correction(s) for this article

Erratum: The role of the frontier orbitals in acid–base chemistry of organic amines probed by ab initio and chemometric techniques

Thermal rate coefficients calculation for the H+ + LiH reaction

Coupled cluster and configuration interaction quantum calculations of infrared fundamental intensities

Theoretical calculations of structures, energetics, and kinetics of O (3P) + CH3OH reactions

Experimental and theoretical studies of 2-amino-3-methylimidazo[4,5-f]quinoline derivatives: Cooked-food mutagens

Search for new antimalarial compounds obtained from natural sources by molecular modeling

Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea

Solvatochromic shift of the π → π* transition in all-trans, cis-13, cis-11, cis-9, and cis-7 retinal isomers induced by water and methanol

Resonating valence-bond mechanism for the superconductivity in K3C60

Solvation of anionic water-soluble porphyrins: A computational study

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Thermal rate coefficients calculation for the H⁺ + LiH reaction

Theoretical calculations of structures, energetics, and kinetics of O (³P) + CH₃OH reactions

Resonating valence-bond mechanism for the superconductivity in K₃C₆₀