. . . . . . . . "10.1002/QUA.24179" . . . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@en . . . . . . . . . . . . . . "3" . . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@nl . . . . . . . . . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@nl . . . . "113" . . . "im Juni 2012 ver\u00F6ffentlichter wissenschaftlicher Artikel"@de . . . . . . . . . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@en . . . . "article scientifique publi\u00E9 en 2012"@fr . . . . "wetenschappelijk artikel"@nl . "\u043D\u0430\u0443\u043A\u043E\u0432\u0430 \u0441\u0442\u0430\u0442\u0442\u044F, \u043E\u043F\u0443\u0431\u043B\u0456\u043A\u043E\u0432\u0430\u043D\u0430 \u0432 \u0447\u0435\u0440\u0432\u043D\u0456 2012"@uk . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@nl . . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@en . . . . . . . "2012-06-05T00:00:00Z"^^ . "Seiichiro Ten-no" . . . . "article by Seiji Ueno et al published 5 June 2012 in International Journal of Quantum Chemistry"@en . . "Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on-the-fly quantum chemical calculations"@en . . . . . "330-335" . .