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A Density-Based Adaptive Quantum Mechanical/Molecular Mechanical Method

Author
WALLER, Mark P1 ; KUMBHAR, Sadhana1 ; YANG, Jack1
[1] Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation Westfalische Wilhelms-Universität Münster Corrensstrasse 40, 48149 Münster, Germany
Source

ChemPhysChem (Print). 2014, Vol 15, Num 15, pp 3218-3225, 8 p ; ref : 57 ref

ISSN
1439-4235
Scientific domain
Biochemistry, molecular biology, biophysics; General chemistry, physical chemistry; Nanotechnologies, nanostructures, nanoobjects; Atomic molecular physics; Condensed state physics
Publisher
Wiley, Weinheim
Publication country
Germany
Document type
Article
Language
English
Author keyword
adaptive molecular modeling noncovalent interactions quantum chemistry topology
Keyword (fr)
Chimie quantique Modélisation Mécanique quantique Topologie
Keyword (en)
Quantum chemistry Modeling Quantum mechanics Topology
Keyword (es)
Química cuántica Modelización Mecánica cuántica Topología
Classification
Pascal
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry

Discipline
General chemistry and physical chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
28854996

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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