Pradeep R. Varadwaj

Publication Activity (10 Years)

Years Active: 2012-2019
Publications (10 Years): 6

Top Topics

Theoretical Foundation

Positive And Negative

Building Blocks

Top Venues

J. Comput. Chem.

Publications

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) (2019)
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) (2018)
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) (2018)
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) (2018)
Arpita Varadwaj, Pradeep R. Varadwaj, Koichi Yamashita
perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design. J. Comput. Chem. 38 (32) (2017)
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) (2015)
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) (2012)