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 type | Article | ||||
| Journal or Publication Title | The Journal of Chemical Physics | ||||
| Publisher: | AMER INST PHYSICS | ||||
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| Place of Publication: | MELVILLE | ||||
| Volume: | 132 | ||||
| Number of Issue or Book Chapter: | 17 | ||||
| Date | 2010 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz | ||||
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| Keywords | PLESSET 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 Classification | 500 Science > 540 Chemistry & allied sciences | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 66132 |
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