Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules

Solvent Effects on Radiative and Non-Radiative Excited State Decays

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_6 ◽

2008 ◽

pp. 135-157

Author(s):

Aurora MuÑoz Losa ◽

Ignacio Fdez. GalvÁn ◽

M. Elena MartÍn ◽

Manuel A. Aguilar

Keyword(s):

Excited State ◽

Solvent Effects

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Electronic Properties of Hydrogen Bond Networks: Implications for Solvent Effects in Polar Liquids

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_5 ◽

2008 ◽

pp. 115-133 ◽

Cited By ~ 2

Author(s):

Silvia Gomes EstÁcio ◽

Hugo F.M.C. Martiniano ◽

Paulo Cabral Do Couto ◽

Benedito JOSÉ Costa Cabral

Keyword(s):

Hydrogen Bond ◽

Electronic Properties ◽

Solvent Effects ◽

Polar Liquids ◽

Hydrogen Bond Networks

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Thermochemical Analysis of the Hydration of Neutral Solutes

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_4 ◽

2008 ◽

pp. 103-113

Author(s):

Axel Bidon-Chanal ◽

Jose MarÍa LÓpez ◽

Modesto Orozco ◽

F. Javier Luque

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Hydrogen Bonds And Solvent Effects In Soil Processes: A Theoretical View

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_12 ◽

2008 ◽

pp. 321-347 ◽

Cited By ~ 1

Author(s):

Daniel Tunega ◽

Adelia J. A. Aquino ◽

Georg Haberhauer ◽

Martin H. Gerzabek ◽

Hans Lischka

Keyword(s):

Hydrogen Bonds ◽

Solvent Effects ◽

Soil Processes ◽

Theoretical View

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Statistical Mechanical Modeling of Chemical Reactions in Condensed Phase Systems

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_8 ◽

2008 ◽

pp. 191-213 ◽

Cited By ~ 5

Author(s):

Andrea Amadei ◽

Massimiliano Aschi ◽

Alfredo Di Nola

Keyword(s):

Chemical Reactions ◽

Condensed Phase ◽

Mechanical Modeling ◽

Statistical Mechanical ◽

Phase Systems

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Molecular Dynamics Simulation Methods including Quantum Effects

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_10 ◽

2008 ◽

pp. 247-278 ◽

Cited By ~ 5

Author(s):

THOMAS S. HOFER ◽

BERNHARD R. RANDOLF ◽

BERND M. RODE

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Quantum Effects ◽

Dynamics Simulation ◽

Simulation Methods

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A Quantum Chemical Approach to Free Energy Calculation for Chemical Reactions in Condensed System: Combination of a Quantum Chemical Method with a Theory of Statistical Mechanics

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_17 ◽

2008 ◽

pp. 455-505 ◽

Cited By ~ 3

Author(s):

Hideaki Takahashi ◽

Nobuyuki Matubayasi ◽

Masayoshi Nakano

Keyword(s):

Free Energy ◽

Chemical Reactions ◽

Quantum Chemical ◽

Chemical Method ◽

Condensed System ◽

Free Energy Calculation ◽

Energy Calculation ◽

Quantum Chemical Method ◽

System Combination ◽

Quantum Chemical Approach

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Solvation Models for Molecular Properties: Continuum Versus Discrete Approaches

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_1 ◽

2008 ◽

pp. 1-21 ◽

Cited By ~ 1

Author(s):

Benedetta Mennucci

Keyword(s):

Molecular Properties ◽

Solvation Models

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The Sequential qm/mm Method and its Applications to Solvent Effects in Electronic and Structural Properties of Solutes

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_7 ◽

2008 ◽

pp. 159-189 ◽

Cited By ~ 18

Author(s):

Kaline Coutinho ◽

Roberto Rivelino ◽

Herbert C. Georg ◽

Sylvio Canuto

Keyword(s):

Structural Properties ◽

Solvent Effects ◽

Electronic And Structural Properties

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Solvation In Polymers

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules ◽

10.1007/978-1-4020-8270-2_11 ◽

2008 ◽

pp. 279-320 ◽

Cited By ~ 4

Author(s):

Hossein Eslami ◽

Florian MÜller-Plathe

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Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Solvent Effects on Radiative and Non-Radiative Excited State Decays

Electronic Properties of Hydrogen Bond Networks: Implications for Solvent Effects in Polar Liquids

Thermochemical Analysis of the Hydration of Neutral Solutes

Hydrogen Bonds And Solvent Effects In Soil Processes: A Theoretical View

Statistical Mechanical Modeling of Chemical Reactions in Condensed Phase Systems

Molecular Dynamics Simulation Methods including Quantum Effects

A Quantum Chemical Approach to Free Energy Calculation for Chemical Reactions in Condensed System: Combination of a Quantum Chemical Method with a Theory of Statistical Mechanics

Solvation Models for Molecular Properties: Continuum Versus Discrete Approaches

The Sequential qm/mm Method and its Applications to Solvent Effects in Electronic and Structural Properties of Solutes

Solvation In Polymers

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Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and BiomoleculesLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Solvent Effects on Radiative and Non-Radiative Excited State Decays

Electronic Properties of Hydrogen Bond Networks: Implications for Solvent Effects in Polar Liquids

Thermochemical Analysis of the Hydration of Neutral Solutes

Hydrogen Bonds And Solvent Effects In Soil Processes: A Theoretical View

Statistical Mechanical Modeling of Chemical Reactions in Condensed Phase Systems

Molecular Dynamics Simulation Methods including Quantum Effects

A Quantum Chemical Approach to Free Energy Calculation for Chemical Reactions in Condensed System: Combination of a Quantum Chemical Method with a Theory of Statistical Mechanics

Solvation Models for Molecular Properties: Continuum Versus Discrete Approaches

The Sequential qm/mm Method and its Applications to Solvent Effects in Electronic and Structural Properties of Solutes

Solvation In Polymers

Challenges and Advances in Computational Chemistry and Physics - Solvation Effects on Molecules and Biomolecules
Latest Publications