Chemical Modelling
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Published By Royal Society Of Chemistry

9781849739542

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Investigating dynamic interactions by multi-scale modelling: from theory to applications

Chemical Modelling ◽

10.1039/9781782620112-00175 ◽

2014 ◽

pp. 175-200 ◽

Cited By ~ 2

Author(s):

Welchy Leite Cavalcanti ◽

Paul-Ludwig Michael Noeske

Keyword(s):

Dynamic Interactions ◽

Multi Scale ◽

Scale Modelling

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Preface

Chemical Modelling ◽

10.1039/9781782620112-fp005 ◽

2014 ◽

pp. P005-P005

Author(s):

Michael Springborg ◽

Jan-Ole Joswig

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Front Matter

Chemical Modelling ◽

10.1039/9781782620112-fp001 ◽

2014 ◽

pp. P001-P004

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Density functional theory of chemical reactivity

Chemical Modelling ◽

10.1039/9781782620112-00151 ◽

2014 ◽

pp. 151-174 ◽

Cited By ~ 7

Author(s):

Patricio Fuentealba ◽

Carlos Cárdenas

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Reactivity ◽

Functional Theory ◽

Theory Of Chemical Reactivity

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Computational studies of solid electrolyte interphase formation

Chemical Modelling ◽

10.1039/9781782620112-00057 ◽

2014 ◽

pp. 57-87 ◽

Cited By ~ 2

Author(s):

Martin Korth

Keyword(s):

Solid Electrolyte ◽

Solid Electrolyte Interphase ◽

Computational Studies

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Low-dimensional transition-metal dichalcogenides

Chemical Modelling ◽

10.1039/9781782620112-00001 ◽

2014 ◽

pp. 1-29 ◽

Cited By ~ 20

Author(s):

Agnieszka Kuc

Keyword(s):

Transition Metal ◽

Transition Metal Dichalcogenides ◽

Metal Dichalcogenides ◽

Low Dimensional

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Theoretical studies of special relativity in atoms and molecules

Chemical Modelling ◽

10.1039/9781782620112-00088 ◽

2014 ◽

pp. 88-133

Author(s):

Timo Fleig

Keyword(s):

Special Relativity ◽

Theoretical Studies ◽

Atoms And Molecules

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A personal perspective on density-functional theory: 50 years young and stronger than ever

Chemical Modelling ◽

10.1039/9781782620112-00134 ◽

2014 ◽

pp. 134-150

Author(s):

Michael Springborg ◽

Jan-Ole Joswig

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Personal Perspective ◽

Functional Theory

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Chemical Modelling ◽

10.1039/9781782620112-fp007 ◽

2014 ◽

pp. P007-P009

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The rules of metastability: detailed transformation mechanisms in chemical elements by means of molecular dynamics techniques

Chemical Modelling ◽

10.1039/9781782620112-00030 ◽

2014 ◽

pp. 30-56

Author(s):

Stefano Leoni ◽

Salah Eddine Boulfelfel ◽

Igor A. Baburin ◽

Daniele Selli

Keyword(s):

Molecular Dynamics ◽

Chemical Elements ◽

Transformation Mechanisms

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Chemical Modelling
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Investigating dynamic interactions by multi-scale modelling: from theory to applications

Preface

Front Matter

Density functional theory of chemical reactivity

Computational studies of solid electrolyte interphase formation

Low-dimensional transition-metal dichalcogenides

Theoretical studies of special relativity in atoms and molecules

A personal perspective on density-functional theory: 50 years young and stronger than ever

CONTENTS

The rules of metastability: detailed transformation mechanisms in chemical elements by means of molecular dynamics techniques

Export Citation Format

Chemical ModellingLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Investigating dynamic interactions by multi-scale modelling: from theory to applications

Preface

Front Matter

Density functional theory of chemical reactivity

Computational studies of solid electrolyte interphase formation

Low-dimensional transition-metal dichalcogenides

Theoretical studies of special relativity in atoms and molecules

A personal perspective on density-functional theory: 50 years young and stronger than ever

CONTENTS

The rules of metastability: detailed transformation mechanisms in chemical elements by means of molecular dynamics techniques

Chemical Modelling
Latest Publications