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Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide by density functional methods

机译：光谱（FT-IR，FT-Raman），一级超极化率，NBO分析，HOmO和LUmO分析N - [（4-（三氟甲基）苯基]吡嗪-2-甲酰胺的密度泛函方法

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Tomy Joseph; Hema Tresa Varghese; C. Yohannan Panicker; K. Viswanathan; Martin Dolezal; Christian Van Alsenoy;
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Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide by density functional methods

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