Chemical Modelling
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(FIVE YEARS 10)

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Published By Royal Society Of Chemistry

9781839161704

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Front Matter

Chemical Modelling ◽

10.1039/9781839162657-fp001 ◽

2021 ◽

pp. P001-P004

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Chemical Modelling ◽

10.1039/9781839162657-fp011 ◽

2021 ◽

pp. P011-P013

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Heterojunctions of armchair graphene nanoribbons

Chemical Modelling ◽

10.1039/9781839162657-00100 ◽

2021 ◽

pp. 100-126

Author(s):

Francisco Sánchez-Ochoa ◽

Gregorio H. Cocoletzi ◽

G. Canto

Keyword(s):

Graphene Nanoribbons ◽

Armchair Graphene Nanoribbons ◽

Armchair Graphene

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Accelerated discovery of new molecules for excitonic solar cells via machine learning and virtual screening

Chemical Modelling ◽

10.1039/9781839162657-00001 ◽

2021 ◽

pp. 1-38

Author(s):

Yaping Wen ◽

Haibo Ma

Keyword(s):

Machine Learning ◽

Solar Cells ◽

Virtual Screening ◽

Excitonic Solar Cells

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From global to local – hybrid density functionals for weak and strong correlation

Chemical Modelling ◽

10.1039/9781839162657-00165 ◽

2021 ◽

pp. 165-181

Author(s):

Hilke Bahmann

Keyword(s):

Strong Correlation ◽

Density Functionals

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Proton transport and the topology of hydrogen bond networks: The case of phosphoric acid and water systems

Chemical Modelling ◽

10.1039/9781839162657-00127 ◽

2021 ◽

pp. 127-164

Author(s):

A. Mikalciute ◽

L. Vilciauskas

Keyword(s):

Hydrogen Bond ◽

Phosphoric Acid ◽

Proton Transport ◽

Water Systems ◽

Hydrogen Bond Networks

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Author biographies

Chemical Modelling ◽

10.1039/9781839162657-fp007 ◽

2021 ◽

pp. P007-P010

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Computational modelling of isomeric polyoxometalates

Chemical Modelling ◽

10.1039/9781839162657-00039 ◽

2021 ◽

pp. 39-71

Author(s):

Aleksandar Kondinski

Keyword(s):

Computational Modelling

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Preface

Chemical Modelling ◽

10.1039/9781839162657-fp005 ◽

2021 ◽

pp. P005-P006

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Molecular modeling of cyclodextrin inclusion complexes

Chemical Modelling ◽

10.1039/9781839162657-00072 ◽

2021 ◽

pp. 72-99

Author(s):

Adlane Sayede ◽

Eric Monflier

Keyword(s):

Molecular Modeling ◽

Inclusion Complexes ◽

Cyclodextrin Inclusion Complexes ◽

Cyclodextrin Inclusion

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Chemical Modelling
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Front Matter

Contents

Heterojunctions of armchair graphene nanoribbons

Accelerated discovery of new molecules for excitonic solar cells via machine learning and virtual screening

From global to local – hybrid density functionals for weak and strong correlation

Proton transport and the topology of hydrogen bond networks: The case of phosphoric acid and water systems

Author biographies

Computational modelling of isomeric polyoxometalates

Preface

Molecular modeling of cyclodextrin inclusion complexes

Export Citation Format

Chemical ModellingLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Front Matter

Contents

Heterojunctions of armchair graphene nanoribbons

Accelerated discovery of new molecules for excitonic solar cells via machine learning and virtual screening

From global to local – hybrid density functionals for weak and strong correlation

Proton transport and the topology of hydrogen bond networks: The case of phosphoric acid and water systems

Author biographies

Computational modelling of isomeric polyoxometalates

Preface

Molecular modeling of cyclodextrin inclusion complexes

Chemical Modelling
Latest Publications