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Browsing by Author Suresh, C H

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Showing results 37 to 56 of 162 < previous   next >
Issue DateTitleAuthor(s)
2010Comparison of Aromatic NH ...pi, OH...pi, and CH ...pi Interactions of Alanine using MP2, CCSD, and DFT methodsNeetha, M; Vijayalakshmi, K P; Koga, N; Suresh, C H
2015-10-14Computational prediction of cyclometalated Ir III, Rh III and Co III amido complexes to capture up to three CO2 moleculesPrabha Vadivelu; Suresh, C H
2010Conformational control in a bipyridine linked pi-conjugated oligomer: Cation mediated helix unfolding and refoldingDivya, K P; Sreejith, S; Suresh, C H; Ajayaghosh, A
2014Cooperativity and cluster growth patterns in acetonitrile: A DFT studyRemya, K; Suresh, C H
2016-02-02Correlation and Prediction of Redox Potentials of Hydrogen Evolution Mononuclear Cobalt Catalysts via Molecular Electrostatic Potential: A DFT StudyBai Amutha, Anjali; Sayyed, F B; Suresh, C H
2009Correlation between solid-state photophysical properties and molecular packing in a series of Indane-1,3-dione containing butadiene derivativesSaleesh Kumar, N S; Shinto Varghese; Suresh, C H; Rath, N P; Suresh Das
2014-10-24Cysteine-based fluorescence “turn-on” sensors for Cu 2+ and Ag +Haridas, V; Praveen Kumar, P; Suresh, C H
2021Design and DFT study of nitrogen-rich donor systems for improved photovoltaic performance in dye-sensitized solar cellsDivya, V V; Suresh, C H
2007Design and synthesis of squaraine based near infrared fluorescent probesBasheer, M C; Santhosh, U; Alex, S; George Thomas, K; Suresh, C H; Suresh Das
2014Designing metal hydride complexes for water splitting reactions: A molecular electrostatic potential approachSandhya, K S; Suresh, C H
2012Development of quantitative structure-property relationships for predicting mutual trans influence and ligand bond dissociation energies in Pd(II), Pt(II) and hypervalent iodine complexesSajith, P K; Suresh, C H
2017-10-05A DFT Study on 1,4-Dihydro-1,4-Azaborinine Annulated Linear Polyacenes: Absorption Spectra, Singlet-Triplet Energy Gap, Aromaticity, and HOMO–LUMO Energy ModulationRakhi, R; Suresh, C H
2016-09-21A DFT Study on Dihydropyrazine Annulated Linear Polyacenes: Aromaticity, Stability and HOMO-LUMO Energy ModulationRakhi, R; Suresh, C H
2012DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexesSandhya, K S; Suresh, C H
2017-08-15Dihydrogen Binding Affinity of Polyatomic Anions: A DFT StudyDella, T D; Suresh, C H
2010Direct 1-3 metal-carbon bonding and planar tetracoordinated carbon in group 6 metallacyclobutadienesSuresh, C H; Frenking, G
2012DPPH Radical scavenging activity of tricin and Its conjugates isolated from “Njavara” rice bran: A density functional theory studyAjitha, M J; Smitha Mohanlal; Suresh, C H; Jayalekshmy, A
2018-10-09Electronic effect of ligands vs. reduction potentials of Fischer carbene complexes of chromium: a molecular electrostatic potential analysisAnjali, B A; Suresh, C H
2023-03-23Electrostatic Potential for Exploring Electron Delocalization in Infinitenes, Circulenes, and NanobeltsAnjalikrishna, P K; Gadre, S R; Suresh, C H
2023-03-23Electrostatic Potential for Exploring Electron Delocalization in Infinitenes, Circulenes, and NanobeltsAnjalikrishna, P K; Gadre, S R; Suresh, C H
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