Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 1018
Issue Date | Title | Author(s) |
2002 | Chiral Interaction in Enantiomeric and Racemic Dipalmitoyl Phosphatidylcholine Langmuir Monolayer | Roy, Ram Kinkar |
2002-12-28 | Nucleophilic Substitution Reaction of Alkyl Halides: A Case Study on Density Functional Theory (DFT) Based Local Reactivity Descriptors | Roy, Ram Kinkar |
2003-11-11 | Stockholders Charge Partitioning Technique. A Reliable Electron Population Analysis Scheme to Predict Intramolecular Reactivity Sequence | Roy, Ram Kinkar |
2004-05 | Local reactivity descriptors to predict the strength of Lewis acid sites in alkali cation-exchanged zeolites | Roy, Ram Kinkar |
2004 | On the Reliability of Global and Local Electrophilicity Descriptors | Roy, Ram Kinkar |
2005 | Are the Local Electrophilicity Descriptors Reliable Indicators of Global Electrophilicity Trends? | Roy, Ram Kinkar |
2006-03-08 | Acetalization and thioacetalization of cabonyl compounds: A case study based on global and local electrophilicity descriptors | Roy, Ram Kinkar |
2006 | Chemoselectivities in Acetalization, Thioacetalization, Oxathioacetalization and Azathioacetalization | Roy, Ram Kinkar |
2017-07-21 | “One-into-Many” Model: An Approach on DFT Based Reactivity Descriptor to Predict the Regioselectivity of Large Systems | Roy, Ram Kinkar |
2008 | N-Dependence problem of local hardness parameter | Roy, Ram Kinkar |
2008-11-25 | Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition? | Roy, Ram Kinkar |
2009-06-19 | Ionic 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 irradiation | Roy, Ram Kinkar |
2009 | A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactions | Roy, Ram Kinkar |
2010 | Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors | Roy, Ram Kinkar |
2010 | CDASE - A reliable scheme to explain the reactivity sequence between Diels–Alder pairs | Roy, Ram Kinkar |
2012-02-06 | On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE) – Scheme and supermolecular approach | Roy, Ram Kinkar |
2012-11-23 | Hardness potential derivatives and their relation to Fukui indices | Roy, Ram Kinkar |
2012-12-11 | Understanding the preferential binding interaction of aqua-cisplatins with nucleobase guanine over adenine: a density functional reactivity theory based approach | Roy, Ram Kinkar |
2014-03 | Study on photophysical properties and prototropic equilibria of trans-2-[4-(N,N-dimethylaminostyryl)]pyridine | Roy, Ram Kinkar |
2013 | Relative Contribution of Combined Kinetic and Exchange Energy Terms vs the Electronic Component of Molecular Electrostatic Potential in Hardness Potential Derivatives | Roy, Ram Kinkar |
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 1018