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CONSISTENT FORCE FIELD STUDIES OF INTERMOLECULAR FORCES IN HYDROGEN-BONDED CRYSTALS. II: A BENCHMARK FOR THE OBJECTIVE COMPARISON OF ALTERNATIVE FORCE FIELDS

Author
HAGLER AT; LIFSON S; DAUBER P
WEIZMANN INST. SCI.,REHOVOT,ISR
Source
J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 18; PP. 5122-5130; BIBL. 14 REF.
Document type
Article
Language
English
Keyword (fr)
COMPOSE ALIPHATIQUE SATURE ACIDE CARBOXYLIQUE AMIDE COMPOSE BIFONCTIONNEL CHAMP FORCE LIAISON HYDROGENE ETAT SOLIDE ETUDE THEORIQUE POTENTIEL INTERACTION ENERGIE RETICULAIRE STRUCTURE CRISTALLINE ACIDE ALCANOIQUE ACIDE ALCANEDIOIQUE ACIDE ALCANOIQUE,AMIDE ACIDE ALCANEDIOIQUE,DIAMIDE COMPOSE ORGANIQUE PHYSIQUE ATOMIQUE PHYSIQUE MOLECULAIRE CRISTALLOGRAPHIE
Keyword (en)
SATURATED ALIPHATIC COMPOUND CARBOXYLIC ACID AMIDE BIFUNCTIONAL COMPOUND FORCE FIELD HYDROGEN BOND SOLID STATE THEORETICAL STUDY INTERACTION POTENTIAL LATTICE ENERGY CRYSTAL STRUCTURE ALKANOIC ACID ALKANEDIOIC ACID ORGANIC COMPOUNDS ATOMIC PHYSICS MOLECULAR PHYSICS CRISTALLOGRAPHY
Keyword (es)
FISICA ATOMICA FISICA MOLECULAR CRISTALOGRAFIA
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics

Pascal
001 Exact sciences and technology / 001B Physics / 001B60 Condensed matter: structure, mechanical and thermal properties / 001B60A Structure of solids and liquids; crystallography

Discipline
Atomic and molecular physics Physics of condensed state : structure, mechanical and thermal properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
PASCAL8040122527

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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