Browsing by Author Suresh, C H

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Issue DateTitleAuthor(s)
2007A base-sugar-phosphate three-layer ONIOM model for cation binding: Relative binding affinities of alkali metal ions for phosphate anion in DNANeethu Sundaresan; Suresh, C H
2011Bond dissociation energies of ligands in square planar Pd(II) and Pt(II) complexes: An assessment using trans influenceSajith, P K; Suresh, C H
2008C-H bond activation through sigma-bond metathesis and agostic interactions: Deactivation pathway of a Grubbs second-generation catalystJomon Mathew; Koga, N; Suresh, C H
2018-06-19Calix[4]arene Based Redox Sensitive Molecular Probe for SERS Guided Recognition of Labile Iron Pool in Tumor CellsSreedevi, P; Nair, J B; Preethanuj, P; Jeeja, B S; Suresh, C H; Maiti, K K; Luxmi Varma, R
2016Carbon Rings: a DFT Study on Geometry, Aromaticity, Intermolecular Carbon–Carbon Interactions and StabilityRemya, K; Suresh, C H
2022-02-18Catalytic Formal Conjugate Addition: Direct Synthesis of Delta-Hydroxynitriles from Nitriles and Allylic AlcoholsThiyagarajan, S; Sankar, R V; Anjalikrishna, P K; Suresh, C H; Gunanathan, C
2013Chain folding controlled by an isomeric repeat unit: helix formation versus random aggregation in acetylene-bridged carbazole-bipyridine co-oligomersDivya, K P; Sreejith, S; Suresh, C H; Divya, S P; Ajayaghosh, A
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