## Abstract Herein, we present theoretical results on the conformational properties of benzylpenicillin, which are characterized by means of quantum chemical calculations (MP2/6β31G\* and B3LYP/6β31G\*) and classical molecular dynamics simulations (5 ns) both in the gas phase and in aqueous solutio
β¦ LIBER β¦
Structure of bilirubin and its anion according to quantum chemical calculations and molecular dynamics simulation
β Scribed by I. V. Fedorova; E. V. Rumyantsev; M. G. Kiselev; L. P. Safonova
- Book ID
- 110185568
- Publisher
- International Academic Publishing Co (Nauka/Interperiodica)
- Year
- 2011
- Tongue
- English
- Weight
- 215 KB
- Volume
- 85
- Category
- Article
- ISSN
- 0036-0244
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