单词 | calculation-based molecular modeling |
释义 | calculation-based molecular modeling [´kal·kyǝ`lā·shǝn ¦bāst mǝ`lek·yǝ·lǝr `mäd·ǝl·iŋ] PHYSICAL CHEMISTRY The use of computers, together with theoretical chemistry and mathematical expressions, to describe the structure of molecules and predict the most favorable conformation of a molecule or to calculate the energy of interaction between two molecules. |
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