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Molecules (Basel, Switzerland)|January 26, 2019
Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?Arpita Varadwaj, Helder M Marques, Pradeep R VaradwajJournal 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 MarquesJournal of Computational Chemistry|June 15, 2012
An electronic structure theory investigation of the physical chemistry of the intermolecular complexes of cyclopropenylidene with hydrogen halidesPradeep R Varadwaj, Arpita Varadwaj, Gilles H PeslherbeSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 6, 2007
Singlet and doublet states UV-vis spectrum and electronic properties of 3-methylchrysene and 4-methylchrysene in glass matrixMudassir M Husain, H C Tandon, Pradeep R VaradwajACS Omega|June 26, 2023
Polymorphs of Titanium Dioxide: An Assessment of the Variants of Projector Augmented Wave Potential of Titanium on Their Geometric and Dielectric PropertiesPradeep R Varadwaj, Van An Dinh, Yoshitada Morikawa, et al.Scientific Reports|January 12, 2019
Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> hybrid organic-inorganic halide perovskite solar cell semiconductorPradeep R Varadwaj, Arpita Varadwaj, Helder M Marques, et al.Journal of Computational Chemistry|September 25, 2018
Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH<sub>3</sub> PbI<sub>3</sub> ) a dynamical bandgap semiconductor in 3D for photovoltaicsPradeep R Varadwaj, Arpita Varadwaj, Helder M Marques, et al.Molecules (Basel, Switzerland)|June 10, 2022
The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond DonorArpita Varadwaj, Pradeep R Varadwaj, Helder M Marques, et al.Pageof 5