Practical Aspects of Computational Chemistry II
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Published By Springer Netherlands

9789400709225, 9789400709232

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Potential Path of DNA Damage: Electron Attachment–Induced DNA Single-Strand Breaks

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_14 ◽

2012 ◽

pp. 511-536

Author(s):

Jiande Gu ◽

Jing Wang ◽

Jerzy Leszczynski

Keyword(s):

Dna Damage ◽

Electron Attachment ◽

Single Strand ◽

Strand Breaks ◽

Single Strand Breaks

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On Two Recent Developments in the Description of Molecular Properties in Solution by Using the Polarizable Continuum Model (PCM): The Coupled-Cluster Theory and the Molecules at Extreme Pressures

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_1 ◽

2012 ◽

pp. 1-17 ◽

Cited By ~ 1

Author(s):

R. Cammi

Keyword(s):

Continuum Model ◽

Polarizable Continuum Model ◽

Molecular Properties ◽

Coupled Cluster ◽

Coupled Cluster Theory ◽

Cluster Theory ◽

Recent Developments ◽

Polarizable Continuum

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New Advances in QSPR/QSAR Analysis of Nitrocompounds: Solubility, Lipophilicity, and Toxicity

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_8 ◽

2012 ◽

pp. 279-334

Author(s):

Liudmyla N. Ognichenko ◽

Victor E. Kuz’min ◽

Leonid Gorb ◽

Eugene N. Muratov ◽

Anatoly G. Artemenko ◽

...

Keyword(s):

Qsar Analysis

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Progress in Predictions of Environmentally Important Physicochemical Properties of Energetic Materials: Applications of Quantum-Chemical Calculations

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_9 ◽

2012 ◽

pp. 335-359 ◽

Cited By ~ 2

Author(s):

Leonid Gorb ◽

Frances C. Hill ◽

Yana Kholod ◽

Eugeniy N. Muratov ◽

Victor E. Kuz’min ◽

...

Keyword(s):

Physicochemical Properties ◽

Quantum Chemical Calculations ◽

Energetic Materials ◽

Quantum Chemical

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Atomistic Mechanism of Carbon Nanostructure Self-Assembly as Predicted by Nonequilibrium QM/MD Simulations

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_5 ◽

2012 ◽

pp. 103-172 ◽

Cited By ~ 4

Author(s):

Stephan Irle ◽

Alister J. Page ◽

Biswajit Saha ◽

Ying Wang ◽

K. R. S. Chandrakumar ◽

...

Keyword(s):

Self Assembly ◽

Md Simulations ◽

Carbon Nanostructure

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Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_4 ◽

2012 ◽

pp. 69-101 ◽

Cited By ~ 3

Author(s):

Hisashi Okumura ◽

Satoru G. Itoh ◽

Yuko Okamoto

Keyword(s):

Molecular Systems ◽

Ensemble Algorithms

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Application of Quantum-Chemical Techniques to Model Environmental Mercury Depletion Reactions

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_12 ◽

2012 ◽

pp. 435-470

Author(s):

Devashis Majumdar ◽

Szczepan Roszak ◽

Jerzy Leszczynski

Keyword(s):

Quantum Chemical ◽

Chemical Techniques

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Theoretical Study of σ-Bond Activation Reactions and Catalytic Reactions by Transition Metal Complexes

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_11 ◽

2012 ◽

pp. 391-434 ◽

Cited By ~ 5

Author(s):

Shigeyoshi Sakaki

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Bond Activation ◽

Theoretical Study ◽

Catalytic Reactions

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Advancing Understanding and Design of Functional Materials Through Theoretical and Computational Chemical Physics

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_7 ◽

2012 ◽

pp. 209-278 ◽

Cited By ~ 2

Author(s):

Jingsong Huang ◽

Jacek Jakowski ◽

Ariana Beste ◽

Jarod Younker ◽

Alvaro Vazquez-Mayagoitia ◽

...

Keyword(s):

Functional Materials ◽

Chemical Physics

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Digraphs in Chemistry: All Possible Structures and Temperature-Dependent Distribution of Water Clusters

Practical Aspects of Computational Chemistry II ◽

10.1007/978-94-007-0923-2_3 ◽

2012 ◽

pp. 49-68 ◽

Cited By ~ 2

Author(s):

Misako Aida ◽

Dai Akase ◽

Hideo Doi ◽

Tomoki Yoshida

Keyword(s):

Water Clusters ◽

Temperature Dependent

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Practical Aspects of Computational Chemistry IILatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Netherlands

Potential Path of DNA Damage: Electron Attachment–Induced DNA Single-Strand Breaks

On Two Recent Developments in the Description of Molecular Properties in Solution by Using the Polarizable Continuum Model (PCM): The Coupled-Cluster Theory and the Molecules at Extreme Pressures

New Advances in QSPR/QSAR Analysis of Nitrocompounds: Solubility, Lipophilicity, and Toxicity

Progress in Predictions of Environmentally Important Physicochemical Properties of Energetic Materials: Applications of Quantum-Chemical Calculations

Atomistic Mechanism of Carbon Nanostructure Self-Assembly as Predicted by Nonequilibrium QM/MD Simulations

Generalized-Ensemble Algorithms for Simulations of Complex Molecular Systems

Application of Quantum-Chemical Techniques to Model Environmental Mercury Depletion Reactions

Theoretical Study of σ-Bond Activation Reactions and Catalytic Reactions by Transition Metal Complexes

Advancing Understanding and Design of Functional Materials Through Theoretical and Computational Chemical Physics

Digraphs in Chemistry: All Possible Structures and Temperature-Dependent Distribution of Water Clusters

Practical Aspects of Computational Chemistry II
Latest Publications