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Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach
Sansone, Giuseppe
, Maschio, Lorenzo , Usvyat, Denis , Schütz, Martin and Karttunen, Antti
(2016)
Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach.
The Journal of Physical Chemistry Letters 7 (1), pp. 131-136.
Date of publication of this fulltext: 17 Mar 2020 11:04
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| Item type | Article | ||||
| Journal or Publication Title | The Journal of Physical Chemistry Letters | ||||
| Publisher: | AMER CHEMICAL SOC | ||||
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| Place of Publication: | WASHINGTON | ||||
| Volume: | 7 | ||||
| Number of Issue or Book Chapter: | 1 | ||||
| Page Range: | pp. 131-136 | ||||
| Date | 2016 | ||||
| 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 | ||||
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| Keywords | PLESSET PERTURBATION-THEORY; BASIS-SETS; ELECTRON CORRELATION; COHESIVE ENERGY; GRAPHITE; ADSORPTION; VALENCE; PROGRAM; CRYSCOR; | ||||
| 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 | 41991 |
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