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Journal 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 PeslherbePhysical Chemistry Chemical Physics : PCCP|July 15, 2014
Significant evidence of C···O and C···C long-range contacts in several heterodimeric complexes of CO with CH3-X, should one refer to them as carbon and dicarbon bonds!Pradeep R Varadwaj, Arpita Varadwaj, Bih-Yaw JinPhysical Chemistry Chemical Physics : PCCP|November 22, 2014
Ligand(s)-to-metal charge transfer as a factor controlling the equilibrium constants of late first-row transition metal complexes: revealing the Irving-Williams thermodynamical seriesPradeep R Varadwaj, Arpita Varadwaj, Bih-Yaw JinMolecules (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 VaradwajScientific 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.Physical Chemistry Chemical Physics : PCCP|May 26, 2018
A DFT assessment of some physical properties of iodine-centered halogen bonding and other non-covalent interactions in some experimentally reported crystal geometriesArpita Varadwaj, Pradeep R Varadwaj, Helder M Marques, et al.International Journal of Molecular Sciences|August 12, 2022
The Pnictogen Bond, Together with Other Non-Covalent Interactions, in the Rational Design of One-, Two- and Three-Dimensional Organic-Inorganic Hybrid Metal Halide Perovskite Semiconducting Materials, and BeyondArpita Varadwaj, Pradeep R Varadwaj, Helder M Marques, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 24, 2018
Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles StudiesArpita Varadwaj, Pradeep R Varadwaj, Helder M Marques, et al.Pageof 4