Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics
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Published By Kluwer Academic Publishers

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Quantum Molecular Systems in Astrophysics: the Illustrative Example of Interstellar Nitriles and Silanitriles

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_15 ◽

2005 ◽

pp. 261-298

Author(s):

O. Parisel ◽

D. Talbi

Keyword(s):

Molecular Systems

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Duality in Two-Ways Interferometers: the Symmetric Quanton-Detecton System

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_1 ◽

2005 ◽

pp. 3-16

Author(s):

Jesús Martinez-Linares ◽

David A. Harmin

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Accurate Density-Functional Calculation of Core XPS Spectra: Simulating Chemisorption and Intermolecular Effects on Real Systems?

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_4 ◽

2005 ◽

pp. 41-56

Author(s):

Christophe Bureau ◽

Spyridon Kranias

Keyword(s):

Density Functional ◽

Density Functional Calculation ◽

Xps Spectra

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Hydrogen Bond Between the α-Hydroxycarboxyl, α-Hydroxyester and α-Hydroxyamide Groups: Ab Initio Gas-Phase and Solution Study of a Double Linkage via the Hydroxyl Group

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_19 ◽

2005 ◽

pp. 355-366

Author(s):

Agnieszka Szarecka ◽

Jacek Rychlewski ◽

Urszula Rychlewska

Keyword(s):

Hydrogen Bond ◽

Ab Initio ◽

Gas Phase ◽

Hydroxyl Group ◽

Solution Study

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Propagator Calculations for Large Molecules: Determination of Transition Eigenvalues with a Subspace Bisection Method in the Diagonal Algebraic Diagrammatic Construction Approximation

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_3 ◽

2005 ◽

pp. 27-40

Author(s):

D. E. Parry

Keyword(s):

Bisection Method ◽

Large Molecules

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A Theoretical Study of the OH Radical Addition to the Xylenes

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_14 ◽

2005 ◽

pp. 241-259

Author(s):

Victor Hugo Uc ◽

Isidoro García-Cruz ◽

Annik Vivier-Bunge

Keyword(s):

Theoretical Study ◽

Radical Addition ◽

Oh Radical

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N-O and P-O Bond Nature in Hypervalent Compounds: is Bader Analysis Basis-Set and Geometry Independent?

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_18 ◽

2005 ◽

pp. 337-353 ◽

Cited By ~ 1

Author(s):

J. A. Dobado ◽

Henar Martínez-García ◽

José Molina ◽

Markku R. Sundberg

Keyword(s):

Basis Set ◽

Bader Analysis

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MCSCF Study of Chemical Reactions in Solution within the Polarizable Continuum Model and VB Analysis of the Reaction Mechanism

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_12 ◽

2005 ◽

pp. 213-231

Author(s):

Claudio Amovilli ◽

Franca Maria Floris ◽

Benedetta Mennucci

Keyword(s):

Reaction Mechanism ◽

Chemical Reactions ◽

Continuum Model ◽

Polarizable Continuum Model ◽

Polarizable Continuum

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Atomic Resonances in External Fields

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_2 ◽

2005 ◽

pp. 17-25 ◽

Cited By ~ 1

Author(s):

R. González-Férez ◽

W. Schweizer

Keyword(s):

External Fields

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Theoretical Study of the Proton Affinities of Some Substituted Derivatives of Histamine and Homologous Compounds. Structure-Activity Relationships

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics ◽

10.1007/0-306-48145-6_20 ◽

2005 ◽

pp. 367-392

Author(s):

Z. Cruz-Rodríguez ◽

C. I. Sainz-Díaz ◽

A. Hernández-Laguna

Keyword(s):

Theoretical Study ◽

Proton Affinities ◽

Structure Activity Relationships ◽

Structure Activity ◽

Homologous Compounds ◽

Derivatives Of

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Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Kluwer Academic Publishers

Quantum Molecular Systems in Astrophysics: the Illustrative Example of Interstellar Nitriles and Silanitriles

Duality in Two-Ways Interferometers: the Symmetric Quanton-Detecton System

Accurate Density-Functional Calculation of Core XPS Spectra: Simulating Chemisorption and Intermolecular Effects on Real Systems?

Hydrogen Bond Between the α-Hydroxycarboxyl, α-Hydroxyester and α-Hydroxyamide Groups: Ab Initio Gas-Phase and Solution Study of a Double Linkage via the Hydroxyl Group

Propagator Calculations for Large Molecules: Determination of Transition Eigenvalues with a Subspace Bisection Method in the Diagonal Algebraic Diagrammatic Construction Approximation

A Theoretical Study of the OH Radical Addition to the Xylenes

N-O and P-O Bond Nature in Hypervalent Compounds: is Bader Analysis Basis-Set and Geometry Independent?

MCSCF Study of Chemical Reactions in Solution within the Polarizable Continuum Model and VB Analysis of the Reaction Mechanism

Atomic Resonances in External Fields

Theoretical Study of the Proton Affinities of Some Substituted Derivatives of Histamine and Homologous Compounds. Structure-Activity Relationships

Quantum Systems in Chemistry and Physics Volume 2 - Progress in Theoretical Chemistry and Physics
Latest Publications