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Pradeep R. Varadwaj
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Journal Articles
- 2019
- [j7]Arpita Varadwaj
, Helder Marques, Pradeep R. Varadwaj
:
Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototype. J. Comput. Chem. 40(20): 1836-1860 (2019) - 2018
- [j6]Pradeep R. Varadwaj
, Arpita Varadwaj, Helder Marques
, Koichi Yamashita:
Can Combined Electrostatic and Polarization Effects Alone Explain the F···F Negative-Negative Bonding in Simple Fluoro-Substituted Benzene Derivatives? A First-Principles Perspective. Comput. 6(4): 51 (2018) - [j5]Arpita Varadwaj
, Pradeep R. Varadwaj
, Koichi Yamashita:
Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like! J. Comput. Chem. 39(7): 343-350 (2018) - [j4]Pradeep R. Varadwaj
, Arpita Varadwaj
, Helder Marques, Koichi Yamashita:
Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH3PbI3) a dynamical bandgap semiconductor in 3D for photovoltaics. J. Comput. Chem. 39(23): 1902-1912 (2018) - 2017
- [j3]Arpita Varadwaj, Pradeep R. Varadwaj
, Koichi Yamashita:
Hybrid organic-inorganic CH3NH3PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design. J. Comput. Chem. 38(32): 2802-2818 (2017) - 2015
- [j2]Pradeep R. Varadwaj
, Arpita Varadwaj, Bih-Yaw Jin
:
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 analyses. J. Comput. Chem. 36(31): 2328-2343 (2015) - 2012
- [j1]Pradeep R. Varadwaj
, Arpita Varadwaj, Gilles H. Peslherbe:
An electronic structure theory investigation of the physical chemistry of the intermolecular complexes of cyclopropenylidene with hydrogen halides. J. Comput. Chem. 33(26): 2073-2082 (2012)
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