Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics
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Published By Springer Netherlands

9789400720756, 9789400720763

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Short-Time Dynamics Through Conical Intersections in Macrosystems: Quadratic Coupling Extension

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_16 ◽

2011 ◽

pp. 285-297

Author(s):

Gábor J. Halász ◽

Attila Papp ◽

Etienne Gindensperger ◽

Horst Köppel ◽

Ágnes Vibók

Keyword(s):

Conical Intersections ◽

Time Dynamics ◽

Short Time ◽

Quadratic Coupling

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Hierarchical Effective-Mode Approach for Extended Molecular Systems

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_15 ◽

2011 ◽

pp. 269-283 ◽

Cited By ~ 2

Author(s):

Rocco Martinazzo ◽

Keith H. Hughes ◽

Irene Burghardt

Keyword(s):

Molecular Systems

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Progress in Hylleraas-CI Calculations on Boron

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_6 ◽

2011 ◽

pp. 103-117

Author(s):

María Belén RUIZ

Keyword(s):

Ci Calculations

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A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_31 ◽

2011 ◽

pp. 599-610

Author(s):

Demeter Tzeli ◽

Ioannis D. Petsalakis ◽

Giannoula Theodorakopoulos

Keyword(s):

Crown Ethers ◽

Theoretical Study

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Neutral Hydrolysis of Methyl Formate from Ab initio Potentials and Molecular Dynamics Simulation

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_23 ◽

2011 ◽

pp. 395-403 ◽

Cited By ~ 1

Author(s):

S. Tolosa Arroyo ◽

A. Hidalgo Garcia ◽

J. A. Sansón Martín

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Methyl Formate ◽

Dynamics Simulation ◽

Ab Initio Potentials ◽

Hydrolysis Of

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Why Specific ETOs are Advantageous for NMR and Molecular Interactions

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_5 ◽

2011 ◽

pp. 83-102 ◽

Cited By ~ 1

Author(s):

Philip E. Hoggan ◽

Ahmed Bouferguène

Keyword(s):

Molecular Interactions

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Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_9 ◽

2011 ◽

pp. 139-171

Author(s):

Alex Borgoo ◽

Michel R. Godefroid ◽

Paul Geerlings

Keyword(s):

Quantum Chemistry ◽

Atomic Physics ◽

Atomic Density ◽

Density Functions

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A Survey on Reptation Quantum Monte Carlo

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_18 ◽

2011 ◽

pp. 327-342 ◽

Cited By ~ 1

Author(s):

Wai Kong Yuen ◽

Stuart M. Rothstein

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo

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Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_17 ◽

2011 ◽

pp. 299-325 ◽

Cited By ~ 1

Author(s):

Roland Mitrić ◽

Jens Petersen ◽

Ute Werner ◽

Vlasta Bonačić-Koutecký

Keyword(s):

Complex Systems ◽

Nonadiabatic Dynamics ◽

Laser Fields ◽

Theoretical Methods

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Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion Following Method

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-94-007-2076-3_22 ◽

2011 ◽

pp. 381-394 ◽

Cited By ~ 1

Author(s):

Koichi Ohno ◽

Yuto Osada

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Quantum Chemical ◽

Energy Surface ◽

Chemical Potential ◽

Reaction Pathways ◽

Chemical Structures ◽

Systematic Exploration

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Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and PhysicsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Short-Time Dynamics Through Conical Intersections in Macrosystems: Quadratic Coupling Extension

Hierarchical Effective-Mode Approach for Extended Molecular Systems

Progress in Hylleraas-CI Calculations on Boron

A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations

Neutral Hydrolysis of Methyl Formate from Ab initio Potentials and Molecular Dynamics Simulation

Why Specific ETOs are Advantageous for NMR and Molecular Interactions

Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry

A Survey on Reptation Quantum Monte Carlo

Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields

Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion Following Method

Advances in the Theory of Quantum Systems in Chemistry and Physics - Progress in Theoretical Chemistry and Physics
Latest Publications