Practical Aspects of Computational Chemistry III
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Published By Springer US

9781489974440, 9781489974457

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Advances in In Silico Research on Nerve Agents

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_10 ◽

2014 ◽

pp. 283-322 ◽

Cited By ~ 1

Author(s):

Devashis Majumdar ◽

Szczepan Roszak ◽

Jing Wang ◽

Tandabany C. Dinadayalane ◽

Bakhtiyor Rasulev ◽

...

Keyword(s):

In Silico ◽

Nerve Agents

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Structure and Energetics of Polyhedral Oligomeric Silsesquioxane (T8,T10,T12-POSS) Cages with Atomic and Ionic Lithium Species

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_5 ◽

2014 ◽

pp. 151-165

Author(s):

Habib U. Rehman ◽

Steven R. Gwaltney

Keyword(s):

Polyhedral Oligomeric Silsesquioxane ◽

Oligomeric Silsesquioxane

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A Physics Based Hydrologic Modeling Approach to Simulate Non-point Source Pollution for the Purposes of Calculating TMDLs and Designing Abatement Measures

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_9 ◽

2014 ◽

pp. 249-282 ◽

Cited By ~ 2

Author(s):

Nawa Raj Pradhan ◽

Charles W. Downer ◽

Billy E. Johnson

Keyword(s):

Point Source ◽

Hydrologic Modeling ◽

Point Source Pollution ◽

Modeling Approach ◽

Non Point Source Pollution

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Growth Mechanism, Energetics and CO Affinities of Vanadium Doped Gold Clusters, AunV with n = 1−20

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_4 ◽

2014 ◽

pp. 107-149

Author(s):

Pham Vu Nhat ◽

Jerzy Leszczynski ◽

Minh Tho Nguyen

Keyword(s):

Growth Mechanism ◽

Gold Clusters

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Modelability Criteria: Statistical Characteristics Estimating Feasibility to Build Predictive QSAR Models for a Dataset

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_7 ◽

2014 ◽

pp. 187-230 ◽

Cited By ~ 7

Author(s):

Alexander Golbraikh ◽

Denis Fourches ◽

Alexander Sedykh ◽

Eugene Muratov ◽

Inta Liepina ◽

...

Keyword(s):

Statistical Characteristics ◽

Qsar Models

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Intrinsic Magnetism in Single-Walled Carbon Nanotubes of Finite Length

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_6 ◽

2014 ◽

pp. 167-186

Author(s):

Frank Hagelberg ◽

Jianhua Wu ◽

Anahita Ayasoufi ◽

Jerzy Leszczynski

Keyword(s):

Carbon Nanotubes ◽

Finite Length ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Investigating Complex Surface Phenomena Using Density Functional Theory

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_3 ◽

2014 ◽

pp. 93-106

Author(s):

Raghani Pushpa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Complex Surface ◽

Surface Phenomena ◽

Functional Theory

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The Scanning Tunneling Microscopy of Adsorbed Molecules on Semiconductors: Some Theoretical Answers to the Experimental Observations

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_1 ◽

2014 ◽

pp. 1-44

Author(s):

Ph. Sonnet ◽

D. Riedel

Keyword(s):

Scanning Tunneling Microscopy ◽

Scanning Tunneling ◽

Tunneling Microscopy ◽

Adsorbed Molecules

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Hints from Computational Chemistry: Mechanisms of Transformations of Simple Species into Purine and Adenine by Feasible Abiotic Processes

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_12 ◽

2014 ◽

pp. 393-427 ◽

Cited By ~ 3

Author(s):

Jing Wang ◽

Jiande Gu ◽

Jerzy Leszczynski

Keyword(s):

Computational Chemistry

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Valence Anions of DNA-Related Systems in the Gas Phase: Computational and Anion Photoelectron Spectroscopy Studies

Practical Aspects of Computational Chemistry III ◽

10.1007/978-1-4899-7445-7_11 ◽

2014 ◽

pp. 323-392 ◽

Cited By ~ 1

Author(s):

Piotr Storoniak ◽

Haopeng Wang ◽

Yeon Jae Ko ◽

Xiang Li ◽

Sarah T. Stokes ◽

...

Keyword(s):

Gas Phase ◽

Photoelectron Spectroscopy ◽

Spectroscopy Studies ◽

Anion Photoelectron Spectroscopy

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Practical Aspects of Computational Chemistry IIILatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer US

Advances in In Silico Research on Nerve Agents

Structure and Energetics of Polyhedral Oligomeric Silsesquioxane (T8,T10,T12-POSS) Cages with Atomic and Ionic Lithium Species

A Physics Based Hydrologic Modeling Approach to Simulate Non-point Source Pollution for the Purposes of Calculating TMDLs and Designing Abatement Measures

Growth Mechanism, Energetics and CO Affinities of Vanadium Doped Gold Clusters, AunV with n = 1−20

Modelability Criteria: Statistical Characteristics Estimating Feasibility to Build Predictive QSAR Models for a Dataset

Intrinsic Magnetism in Single-Walled Carbon Nanotubes of Finite Length

Investigating Complex Surface Phenomena Using Density Functional Theory

The Scanning Tunneling Microscopy of Adsorbed Molecules on Semiconductors: Some Theoretical Answers to the Experimental Observations

Hints from Computational Chemistry: Mechanisms of Transformations of Simple Species into Purine and Adenine by Feasible Abiotic Processes

Valence Anions of DNA-Related Systems in the Gas Phase: Computational and Anion Photoelectron Spectroscopy Studies

Practical Aspects of Computational Chemistry III
Latest Publications