DSpace at My University: Browsing DSpace

Browsing by Subject Density functional theory

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:

Showing results 1 to 11 of 11

Issue Date	Title	Author(s)
2014	Accurate binding energies of hydrogen, halogen, and dihydrogen bonded complexes and cation enhanced binding strengths	Neetha Mohan; Suresh, C H
2012-06	Accurate prediction of cation−π interaction energy using substituent effects	Sayyed, F B; Suresh, C H
2011	Bond dissociation energies of ligands in square planar Pd(II) and Pt(II) complexes: An assessment using trans influence	Sajith, P K; Suresh, C H
2012	DPPH Radical scavenging activity of tricin and Its conjugates isolated from “Njavara” rice bran: A density functional theory study	Ajitha, M J; Smitha Mohanlal; Suresh, C H; Jayalekshmy, A
2009	An electrostatic scale of substituent resonance effect	Sayyed, F B; Suresh, C H
2018-01	Experimental and DFT Studies for Substituent Effects on Cycloadditions of C,N-Disubstituted Nitrones to Cinnamoyl Piperidine	Mandal, S; Maiti, K K; Avijit, B; Prange, T; Neuman, A; Nivedita, A
2006	Meso-meso linked core modified 22 pi smaragdyrins with unusual absorption properties	Misra, R; Kumar, R; Chandrashekar, T K; Suresh, C H
2011	NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway	Ajitha, M J; Suresh, C H
2006	Photophysical and theoretical investigations of oligo(p-phenyleneethynylene)s: Effect of alkoxy substitution and alkyne-aryl bond rotations	James, P V; Sudeep, P K; Suresh, C H; George Thomas, K
2012	Quantification and prediction of substituent effects in aromatic molecules and cation- Complexes using molecular electrostatic potential	Fareed Bhasha Sayyed Meerasaheb
2006	Structure absorption spectra correlation in a series of 2,6-dimethyl-4-arylpyrylium salts	Manoj, N; Ajayakumar, G; Gopidas, K R; Suresh, C H

Showing results 1 to 11 of 11