Написати автору Вплив методів та базисних наборів на результати розрахунків з використанням різних моделей сольватації
DOI: https://doi.org/10.15407/hftp09.01.003
Анотація
Різні квантово-хімічні методи включно з ab initio, ТФГ та напівемпіричним наближенням з різними базисними наборами та моделями сольватації і супермолекулярним наближенням було використано для аналізу ефектів сольватації для полярних, слабко полярних та неполярних розчинників.
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DOI: https://doi.org/10.15407/hftp09.01.003
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