Practical Aspects of Computational Chemistry IV
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Published By Springer US

9781489976970, 9781489976994

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features—Property/Activity Relationships (QFPRs/QFARs)

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_12 ◽

2016 ◽

pp. 353-396

Author(s):

Andrey A. Toropov ◽

Alla P. Toropova ◽

Karel Nesmerak ◽

Aleksandar M. Veselinović ◽

Jovana B. Veselinović ◽

...

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Computational Mechanochemistry

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_8 ◽

2016 ◽

pp. 233-243

Author(s):

Przemyslaw Dopieralski ◽

Zdzislaw Latajka

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Effectively Unpaired Electrons for Singlet States: From Diatomics to Graphene Nanoclusters

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_6 ◽

2016 ◽

pp. 151-206 ◽

Cited By ~ 2

Author(s):

Anatoliy V. Luzanov

Keyword(s):

Singlet States ◽

Unpaired Electrons

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Detailed Atomistic Modeling of Si(110) Passivation by Atomic Layer Deposition of Al2O3

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_11 ◽

2016 ◽

pp. 303-351

Author(s):

Andrey A. Rybakov ◽

Alexander V. Larin ◽

Daniel P. Vercauteren ◽

Georgy M. Zhidomirov

Keyword(s):

Atomic Layer Deposition ◽

Atomic Layer ◽

Atomistic Modeling ◽

Layer Deposition

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A Critical Look at Methods for Calculating Charge Transfer Couplings Fast and Accurately

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_4 ◽

2016 ◽

pp. 103-134 ◽

Cited By ~ 2

Author(s):

Pablo Ramos ◽

Marc Mankarious ◽

Michele Pavanello

Keyword(s):

Charge Transfer

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Iodine Containing Drugs: Complexes of Molecular Iodine and Tri-iodide with Bioorganic Ligands and Lithium Halogenides in Aqueous Solutions

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_10 ◽

2016 ◽

pp. 279-301 ◽

Cited By ~ 3

Author(s):

Gulnara A. Yuldasheva ◽

Georgii M. Zhidomirov ◽

Jerzy Leszczynski ◽

Aleksandr I. Ilin

Keyword(s):

Aqueous Solutions ◽

Molecular Iodine

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Hydrogen Bond and Other Lewis Acid–Lewis Base Interactions—Mechanisms of Formation

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_9 ◽

2016 ◽

pp. 245-277

Author(s):

Sławomir J. Grabowski

Keyword(s):

Hydrogen Bond ◽

Lewis Acid ◽

Lewis Base ◽

Mechanisms Of Formation

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Methods for Computing Ro-vibrational Energy Levels

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_5 ◽

2016 ◽

pp. 135-149 ◽

Cited By ~ 1

Author(s):

Tucker Carrington

Keyword(s):

Vibrational Energy ◽

Energy Levels ◽

Vibrational Energy Levels

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How Can One Locate the Global Energy Minimum for Hydrogen-Bonded Clusters?

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_2 ◽

2016 ◽

pp. 25-55

Author(s):

Sergey Kazachenko ◽

Ajit J. Thakkar

Keyword(s):

Energy Minimum ◽

Global Energy ◽

Global Energy Minimum ◽

Hydrogen Bonded

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Optical Parameters of $$\pi $$ π -Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory

Practical Aspects of Computational Chemistry IV ◽

10.1007/978-1-4899-7699-4_3 ◽

2016 ◽

pp. 57-102 ◽

Cited By ~ 1

Author(s):

Anton B. Zakharov ◽

Vladimir V. Ivanov ◽

Ludwik Adamowicz

Keyword(s):

Coupled Cluster ◽

Optical Parameters ◽

Coupled Cluster Theory ◽

Cluster Theory

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Practical Aspects of Computational Chemistry IVLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer US

Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features—Property/Activity Relationships (QFPRs/QFARs)

Computational Mechanochemistry

Effectively Unpaired Electrons for Singlet States: From Diatomics to Graphene Nanoclusters

Detailed Atomistic Modeling of Si(110) Passivation by Atomic Layer Deposition of Al2O3

A Critical Look at Methods for Calculating Charge Transfer Couplings Fast and Accurately

Iodine Containing Drugs: Complexes of Molecular Iodine and Tri-iodide with Bioorganic Ligands and Lithium Halogenides in Aqueous Solutions

Hydrogen Bond and Other Lewis Acid–Lewis Base Interactions—Mechanisms of Formation

Methods for Computing Ro-vibrational Energy Levels

How Can One Locate the Global Energy Minimum for Hydrogen-Bonded Clusters?

Optical Parameters of $$\pi $$ π -Conjugated Oligomer Chains from the Semiempirical Local Coupled-Cluster Theory

Practical Aspects of Computational Chemistry IV
Latest Publications