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- [6] A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolinJOURNAL OF CHEMICAL PHYSICS, 2011, 134 (03):Nagata, TakeshiFedorov, Dmitri G.Sawada, ToshihikoKitaura, KazuoGordon, Mark S.
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- [8] Vibrational solvatochromism. II. A first-principle theory of solvation-induced vibrational frequency shift based on effective fragment potential methodJOURNAL OF CHEMICAL PHYSICS, 2014, 140 (16):Blasiak, BartoszCho, Minhaeng
