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Schemmel, Dominik ; Schütz, Martin

Molecular aniline clusters. I. The electronic ground state

Schemmel, Dominik and Schütz, Martin (2010) Molecular aniline clusters. I. The electronic ground state. The Journal of Chemical Physics 132 (17).

Date of publication of this fulltext: 19 Dec 2024 11:37
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Item typeArticle
Journal or Publication TitleThe Journal of Chemical Physics
Publisher:AMER INST PHYSICS
Place of Publication:MELVILLE
Volume:132
Number of Issue or Book Chapter:17
Date2010
InstitutionsChemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz
Identification Number
ValueType
10.1063/1.3419505DOI
KeywordsPLESSET PERTURBATION-THEORY; DENSITY FITTING APPROXIMATIONS; GLOBAL GEOMETRY OPTIMIZATION; TRIPLES CORRECTION T; BASIS-SETS; AB-INITIO; MODEL POTENTIALS; WAVE-FUNCTIONS; SPECTROSCOPY; ALGORITHM; ab initio calculations; density functional theory; ground states; hydrogen bonds; molecular configurations; molecular electronic states; organic compounds; perturbation theory; potential energy surfaces
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
Item ID66132

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