Items where Division is "Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Research Group Theoretical Chemistry > PD Dr. Denis Usvyat" and Year is 2016
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Number of items: 2.
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Masur, Oliver and Schuetz, Martin and Maschio, Lorenzo and Usvyat, Denis (2016) Fragment-Based Direct-Local-Ring-Coupled-Cluster Doubles Treatment Embedded in the Periodic Hartree-Fock Solution. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12 (10). pp. 5145-5156. ISSN 1549-9618, 1549-9626
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Sansone, Giuseppe and Maschio, Lorenzo and Usvyat, Denis and Schuetz, Martin and Karttunen, Antti (2016) Toward an Accurate Estimate of the Exfoliation Energy of Black Phosphorus: A Periodic Quantum Chemical Approach. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7 (1). pp. 131-136. ISSN 1948-7185
