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On the limited precision of transfer of molecular optical activity tensors
- 1.0360481 - ÚOCHB 2012 RIV CZ eng J - Journal Article
Yamamoto, Shigeki - Bouř, Petr
On the limited precision of transfer of molecular optical activity tensors.
Collection of Czechoslovak Chemical Communications. Roč. 76, č. 5 (2011), s. 567-583. ISSN 0010-0765
R&D Projects: GA MŠMT(CZ) LH11033; GA ČR GAP208/11/0105
Grant - others:GA ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : transfer of tensor * optical activity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.283, year: 2011
The individual polarizable group model is analyzed for a model water dimer, and the corrections stemming from mutual group polarizations neglected in the transfer are estimated ab initio.
Permanent Link: http://hdl.handle.net/11104/0198021
Number of the records: 1