静電溶媒和エネルギーの英語

溶媒和自由エネルギーが静電的寄与を表わす静電項と非静電的寄与を表わす非静電項との和として表わされる場合に、非静電項の計算コストを削減する。例文帳に追加

To reduce calculation cost of a non-electrostatic term when solvation free energy is represented as the sum of an electrostatic term representing electrostatic contribution and the non-electrostatic term representing non-electrostatic contribution. - 特許庁

溶媒効果計算装置は、一般化ボルン法から得られる有効ボルン半径を計算する有効ボルン半径計算部と、有効ボルン半径計算部で計算された有効ボルン半径の関数として、溶媒和自由エネルギーの非静電的寄与を計算する非静電的寄与計算部と、を有する。例文帳に追加

The solvent effect calculation device has: an effective Born radius calculation part calculating an effective Born radius obtained from a generalized Born method; and a non-electrostatic contribution calculation part calculating the non-electrostatic contribution of the solvation free energy as a function of the effective Born radius calculated in the effective Born radius calculation part. - 特許庁