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Results 21-30 of 44 (Search time: 0.003 seconds).
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Issue DateTitleAuthor(s)
2012-12-11Understanding the preferential binding interaction of aqua-cisplatins with nucleobase guanine over adenine: a density functional reactivity theory based approachRoy, Ram Kinkar
2012-02-06On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE) – Scheme and supermolecular approachRoy, Ram Kinkar
2010CDASE - A reliable scheme to explain the reactivity sequence between Diels–Alder pairsRoy, Ram Kinkar
2013Relative Contribution of Combined Kinetic and Exchange Energy Terms vs the Electronic Component of Molecular Electrostatic Potential in Hardness Potential DerivativesRoy, Ram Kinkar
2012-11-23Hardness potential derivatives and their relation to Fukui indicesRoy, Ram Kinkar
2009-06-19Ionic liquid catalyzed expeditious synthesis of 2-aryl-2,3-dihydroquinolin-4(1H)-ones and 2-aryl-2,3-dihydro-4H-chromen-4-ones under microwave irradiationRoy, Ram Kinkar
2009A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactionsRoy, Ram Kinkar
2010Studies of regioselectivity of large molecular systems using DFT based reactivity descriptorsRoy, Ram Kinkar
2006Chemoselectivities in Acetalization, Thioacetalization, Oxathioacetalization and AzathioacetalizationRoy, Ram Kinkar
2017-07-21“One-into-Many” Model:  An Approach on DFT Based Reactivity Descriptor to Predict the Regioselectivity of Large SystemsRoy, Ram Kinkar

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