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Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 1018
Issue DateTitleAuthor(s)
2002Chiral Interaction in Enantiomeric and Racemic Dipalmitoyl Phosphatidylcholine Langmuir MonolayerRoy, Ram Kinkar
2002-12-28Nucleophilic Substitution Reaction of Alkyl Halides:  A Case Study on Density Functional Theory (DFT) Based Local Reactivity DescriptorsRoy, Ram Kinkar
2003-11-11Stockholders Charge Partitioning Technique. A Reliable Electron Population Analysis Scheme to Predict Intramolecular Reactivity SequenceRoy, Ram Kinkar
2004-05Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolitesRoy, Ram Kinkar
2004On the Reliability of Global and Local Electrophilicity DescriptorsRoy, Ram Kinkar
2005Are the Local Electrophilicity Descriptors Reliable Indicators of Global Electrophilicity Trends?Roy, Ram Kinkar
2006-03-08Acetalization and thioacetalization of cabonyl compounds: A case study based on global and local electrophilicity 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
2008N-Dependence problem of local hardness parameterRoy, Ram Kinkar
2008-11-25Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition?Roy, 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
2010CDASE - A reliable scheme to explain the reactivity sequence between Diels–Alder pairsRoy, Ram Kinkar
2012-02-06On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE) – Scheme and supermolecular approachRoy, Ram Kinkar
2012-11-23Hardness potential derivatives and their relation to Fukui indicesRoy, Ram Kinkar
2012-12-11Understanding the preferential binding interaction of aqua-cisplatins with nucleobase guanine over adenine: a density functional reactivity theory based approachRoy, Ram Kinkar
2014-03Study on photophysical properties and prototropic equilibria of trans-2-[4-(N,N-dimethylaminostyryl)]pyridineRoy, 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
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 1018