화학공학소재연구정보센터
검색결과 : 2건
No. Article
1 Toward Feasible and Comprehensive Computational Protocol for Simulation of the Spectroscopic Properties of Large Molecular Systems: The Anharmonic Infrared Spectrum of Uracil in the Solid State by the Reduced Dimensionality/Hybrid VPT2 Approach
Fornaro T, Carnimeo I, Biczysko M
Journal of Physical Chemistry A, 119(21), 5313, 2015
2 The Electronic Circular Dichroism of Nicotine in Aqueous Solution: A Test Case for Continuum and Mixed Explicit-Continuum Solvation Approaches
Egidi F, Russo R, Carnimeo I, D'Urso A, Mancini G, Cappelli C
Journal of Physical Chemistry A, 119(21), 5396, 2015