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Chemistry (Weinheim an Der Bergstrasse, Germany)|October 24, 2012
Can a single molecule of water be completely isolated within the subnano-space inside the fullerene C60 cage? A quantum chemical prospectiveArpita Varadwaj, Pradeep R VaradwajChemsuschem|December 9, 2017
Revealing the Chemistry between Band Gap and Binding Energy for Lead-/Tin-Based Trihalide Perovskite Solar Cell SemiconductorsArpita Varadwaj, Pradeep R Varadwaj, Koichi YamashitaJournal of Computational Chemistry|December 12, 2017
Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like!Arpita Varadwaj, Pradeep R Varadwaj, Koichi YamashitaJournal of Computational Chemistry|October 20, 2017
Hybrid organic-inorganic CH<sub>3</sub> NH<sub>3</sub> PbI<sub>3</sub> perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials designArpita Varadwaj, Pradeep R Varadwaj, Koichi YamashitaThe Journal of Physical Chemistry. A|May 17, 2011
DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexesPradeep R Varadwaj, Arpita Varadwaj, Helder M MarquesJournal of Computational Chemistry|October 28, 2015
Hexahalogenated and their mixed benzene derivatives as prototypes for the understanding of halogen···halogen intramolecular interactions: New insights from combined DFT, QTAIM-, and RDG-based NCI analysesPradeep R Varadwaj, Arpita Varadwaj, Bih-Yaw JinPhysical Chemistry Chemical Physics : PCCP|August 9, 2014
Halogen bonding interaction of chloromethane with several nitrogen donating molecules: addressing the nature of the chlorine surface σ-holePradeep R Varadwaj, Arpita Varadwaj, Bih-Yaw JinJournal of Computational Chemistry|April 25, 2019
Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototypeArpita Varadwaj, Helder M Marques, Pradeep R VaradwajPhysical Chemistry Chemical Physics : PCCP|October 2, 2015
Unusual bonding modes of perfluorobenzene in its polymeric (dimeric, trimeric and tetrameric) forms: entirely negative fluorine interacting cooperatively with entirely negative fluorinePradeep R Varadwaj, Arpita Varadwaj, Bih-Yaw JinScientific Reports|July 25, 2019
C<sub>70</sub> Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical studyPradeep R Varadwaj, Arpita Varadwaj, Helder M MarquesPageof 4