화학공학소재연구정보센터
검색결과 : 7건
No. Article
1 Quantification of Aromaticity of Heterocyclic Systems Using Interaction Coordinates
Dey S, Manogaran D, Manogaran S, Schaefer HF
Journal of Physical Chemistry A, 122(34), 6953, 2018
2 Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach
Pandey SK, Manogaran D, Manogaran S, Schaefer HF
Journal of Physical Chemistry A, 121(32), 6090, 2017
3 Infrared Spectra of Dimethylquinolines in the Gas Phase: Experiment and Theory
Das P, Manogaran S, Arunan E, Das PK
Journal of Physical Chemistry A, 114(32), 8351, 2010
4 Impact of extended pi conjugation on methyl rotor-induced IVR in aromatic molecules
Biswas P, Panja SS, Manogaran S, Chakraborty T
Journal of Physical Chemistry A, 109(14), 3225, 2005
5 Density functional theory and tight-binding quantum chemical molecular dynamics calculations on Ce1-xCuxO2-delta catalyst and the adsorptions of CH3OH and CH3O on Ce1-xCuxO2-delta
Luo Y, Ito Y, Zhong HF, Endou A, Kubo M, Manogaran S, Imamura A, Miyamoto A
Chemical Physics Letters, 384(1-3), 30, 2004
6 Theoretical prediction of vibrational spectrum of N-glycylglycine hydrochloride: An ab initio study
Chakraborty D, Manogaran S
Journal of Physical Chemistry A, 101(37), 6964, 1997
7 Force-Field and Assignment of the Vibrational-Spectrum of Anthracene - Theoretical Prediction
Chakraborty D, Ambashta R, Manogaran S
Journal of Physical Chemistry, 100(33), 13963, 1996