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Journal of Computational Chemistry|October 6, 2012
Reaction energetics on long-range corrected density functional theory: Diels-Alder reactionsRaman K Singh, Takao TsunedaJournal of Computational Chemistry|April 18, 2014
Reactivity index based on orbital energiesTakao Tsuneda, Raman K SinghThe Journal of Physical Chemistry. A|December 3, 2009
Investigation of ethynylfurans using the electron propagator theoryRaman K Singh, Manoj K MishraACS Omega|December 13, 2021
Hydration, Prediction of the p<i>K</i> <sub>a</sub>, and Infrared Spectroscopic Study of Sulfonated Polybenzophenone (SPK) Block-Copolymer Hydrocarbon Membranes and Comparisons with NafionSoni Singh, Tetsuya Taketsugu, Raman K SinghJournal of Computational Chemistry|March 25, 2016
Relationship between orbital energy gaps and excitation energies for long-chain systemsTakao Tsuneda, Raman K Singh, Ayako NakataJournal of Computational Chemistry|June 6, 2017
On low-lying excited states of extended nanographenesTakao Tsuneda, Raman K Singh, Ayako NakataJournal of Computational Chemistry|May 26, 2018
Insights into geometries, stabilities, electronic structures, reactivity descriptors, and magnetic properties of bimetallic Ni<sub>m</sub> Cu<sub>n-m</sub> (m = 1, 2; n = 3-13) clusters: Comparison with pure copper clustersRaman K Singh, Takeshi Iwasa, Tetsuya TaketsuguACS Omega|August 29, 2019
Theoretical Investigation of the H<sub>2</sub>O<sub>2</sub>-Induced Degradation Mechanism of Hydrated Nafion Membrane via Ether-Linkage DissociationTakao Tsuneda, Raman K Singh, Akihiro Iiyama, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 1, 2023
Atomistic Simulations of Hydrated Sulfonated Polybenzophenone Block Copolymer MembranesAnurag Prakash Sunda, Soni Singh, Sonia Yadav, et al.The Journal of Physical Chemistry. A|November 16, 2007
Tautomeric forms of azolide anions: vertical electron detachment energies and Dyson orbitalsJunia Melin, Raman K Singh, Manoj K Mishra, et al.Pageof 2