First Principle Calculations of the Electronic and Vibrational Properties of the 3-(1,1-Dicyanoethenyl)-1-phenyl-4,5-dihydro-1H-pyrazole Molecule

Author:

Makowska-Janusik Malgorzata1,Kajzar Francois23,Miniewicz Andrzej4,Mydlova Lucia1,Rau Ileana2

Affiliation:

1. Institute of Physics, Jan Dlugosz University, Al. Armii Krajowei 13/15, 42-200 Czestochowa, Poland

2. Faculty of Applied Chemistry and Materials Science, University Politehnica of Bucharest, Bucharest, Romania

3. Laboratoire de Chimie, CNRS, Université Claude Bernard, ENS-Lyon, 46 Allée d’Italie, 69364 Lyon Cedex 07, France

4. Advanced Materials Engineering and Modelling Group, Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw, Poland

Funder

Narodowe Centrum Nauki

Ministerul Educa?iei, Cercetarii, Tineretului ?i Sportului

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

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