Improvements of DRISM calculations: symmetry reduction and hybrid algorithms
Woelki, Stefan, Kohler, Hans-Helmut, Krienke, Hartmut and Schmeer, Georg (2008) Improvements of DRISM calculations: symmetry reduction and hybrid algorithms. Phys. Chem. Chem. Phys. 10 (6), pp. 898-910.Date of publication of this fulltext: 19 Dec 2024 13:26
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| Item type | Article | ||||
| Journal or Publication Title | Phys. Chem. Chem. Phys. | ||||
| Publisher: | ROYAL SOC CHEMISTRY | ||||
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| Place of Publication: | CAMBRIDGE | ||||
| Volume: | 10 | ||||
| Number of Issue or Book Chapter: | 6 | ||||
| Page Range: | pp. 898-910 | ||||
| Date | 2008 | ||||
| Institutions | Chemistry and Pharmacy > Institut für Analytische Chemie, Chemo- und Biosensorik | ||||
| Identification Number |
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| Keywords | INTERACTION SITE MODEL; INTEGRAL-EQUATION THEORY; MONTE-CARLO-SIMULATION; MOLECULAR-DYNAMICS SIMULATIONS; DENSITY-FUNCTIONAL THEORY; PARTIAL MOLAR VOLUME; NONUNIFORM POLYATOMIC SYSTEMS; AMBIENT AQUEOUS-SOLUTION; ALCOHOL-WATER MIXTURES; SOLVATION FREE-ENERGY; | ||||
| 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 | 68596 |
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