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Chemical Modelling
Latest Publications
TOTAL DOCUMENTS
10
(FIVE YEARS 0)
H-INDEX
2
(FIVE YEARS 0)
Published By Royal Society Of Chemistry
9781849739542
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Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
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Investigating dynamic interactions by multi-scale modelling: from theory to applications
Chemical Modelling
◽
10.1039/9781782620112-00175
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2014
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pp. 175-200
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Cited By ~ 2
Author(s):
Welchy Leite Cavalcanti
◽
Paul-Ludwig Michael Noeske
Keyword(s):
Dynamic Interactions
◽
Multi Scale
◽
Scale Modelling
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Front Matter
Chemical Modelling
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10.1039/9781782620112-fp001
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2014
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pp. P001-P004
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Density functional theory of chemical reactivity
Chemical Modelling
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10.1039/9781782620112-00151
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2014
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pp. 151-174
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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
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10.1039/9781782620112-00057
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2014
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pp. 57-87
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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
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10.1039/9781782620112-00001
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2014
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pp. 1-29
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Cited By ~ 20
Author(s):
Agnieszka Kuc
Keyword(s):
Transition Metal
◽
Transition Metal Dichalcogenides
◽
Metal Dichalcogenides
◽
Low Dimensional
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Preface
Chemical Modelling
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10.1039/9781782620112-fp005
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2014
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pp. P005-P005
Author(s):
Michael Springborg
◽
Jan-Ole Joswig
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Theoretical studies of special relativity in atoms and molecules
Chemical Modelling
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10.1039/9781782620112-00088
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2014
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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
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10.1039/9781782620112-00134
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2014
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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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CONTENTS
Chemical Modelling
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10.1039/9781782620112-fp007
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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
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10.1039/9781782620112-00030
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2014
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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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