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Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
Yang, Jun
, Hu, Weifeng, Usvyat, Denis , Matthews, Devin, Schütz, Martin and Chan, Garnet Kin-Lic
(2014)
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy.
Science 345 (6197), pp. 640-643.
Date of publication of this fulltext: 19 Dec 2024 08:08
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| Item type | Article | ||||
| Journal or Publication Title | Science | ||||
| Publisher: | AMER ASSOC ADVANCEMENT SCIENCE | ||||
|---|---|---|---|---|---|
| Place of Publication: | WASHINGTON | ||||
| Volume: | 345 | ||||
| Number of Issue or Book Chapter: | 6197 | ||||
| Page Range: | pp. 640-643 | ||||
| Date | 2014 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > Prof. Dr. Martin Schütz Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > PD Dr. Denis Usvyat | ||||
| Identification Number |
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| Keywords | BASIS-SETS; NEUTRON-DIFFRACTION; 1ST PRINCIPLES; WAVE-FUNCTIONS; SOLIDS; PRESSURE; | ||||
| 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 | 61246 |
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