Varadwaj Arpita (Arpita Varadwaj) - マイポータル

Enhanced hydrogen release from hydrogen boride nanosheets via carbon doping

Riku Kawamura, Reiya Kawamura, Arpita Varadwaj, Kazuaki Kisu, Rika Tanaka, Akiyasu Yamamoto, Ryota Ishibiki, Shin‐ichi Ito, Takeshi Fujita, Tomoharu Tokunaga …

Small structures 2025年12月査読有り招待有り責任著者

Automated elucidation of crystal and electronic structures in boron nitride from X-ray absorption spectra using uniform manifold approximation and projection

Reika Hasegawa, Arpita Varadwaj, Alexandre Lira Foggiatto, Masahito Niibe, Takahiro Yamazaki, Masafumi Horio, Yasunobu Ando, Takahiro Kondo, Iwao Matsuda, Masato Kotsugi

Scientific reports 15(1) 2025年11月10日査読有り筆頭著者責任著者

Linking structure and process in dendritic growth using persistent homology with energy analysis

Misato Tone, Shunsuke Sato, Sotaro Kunii, Ippei Obayashi, Yasuaki Hiraoka, Yui Ogawa, Hirokazu Fukidome, Alexandre Lira Foggiatto, Chiharu Mitsumata,Ryunosuke, Nagaoka …

Science and technology of advanced materials-methods 2025年4月8日査読有り

Quasi-Periodic Growth of One-Dimensional Copper Boride on Cu(110).

Yuki Tsujikawa, Xiaoni Zhang, Kazuki Yamaguchi, Masahiro Haze, Takeru Nakashima, Arpita Varadwaj, Yusuke Sato, Masafumi Horio, Yukio Hasegawa, Fumio Komori …

Nano letters 24(4) 1160-1167 2024年1月31日査読有り

Methylammonium Tetrel Halide Perovskite Ion Pairs and Their Dimers: The Interplay between the Hydrogen-, Pnictogen- and Tetrel-Bonding Interactions

Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita

International Journal of Molecular Sciences 24(13) 2023年7月査読有り筆頭著者責任著者

The Tetrel Bond and Tetrel Halide Perovskite Semiconductors

Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita

International Journal of Molecular Sciences 24(7) 2023年4月査読有り筆頭著者責任著者

Definition of the tetrel bond

Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita

CrystEngComm 25(9) 1411-1423 2023年2月7日査読有り筆頭著者

The pnictogen bond forming ability of bonded bismuth atoms in molecular entities in the crystalline phase: a perspective

Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita

CrystEngComm 25(7) 1038-1052 2023年1月16日査読有り責任著者

Fullerenes, carbon nanotubes and graphene as tetrel bond donors and acceptors of electrophiles

Pradeep R. Varadwaj, Arpita Varadwaj, Helder Marques, Koichi Yamashita

CrystEngComm 2023年査読有り

Definition of the Pnictogen Bond: A Perspective

Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques, Koichi Yamashita

Inorganics 10(10) 2022年10月査読有り筆頭著者責任著者

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 Beyond

Arpita Varadwaj, Pradeep R. Varadwaj, Helder Marques, Koichi Yamashita

International Journal of Molecular Sciences 23(15) 2022年8月査読有り筆頭著者責任著者

The Pnictogen Bond: The Covalently Bound Arsenic Atom in Molecular Entities in Crystals as a Pnictogen Bond Donor

Arpita Varadwaj, Pradeep R. Varadwaj, Helder Marques, Koichi Yamashita

Molecules 27(11) 2022年5月査読有り筆頭著者責任著者

The Stibium Bond or the Antimony-Centered Pnictogen Bond: The Covalently Bound Antimony Atom in Molecular Entities in Crystal Lattices as a Pnictogen Bond Donor

Arpita Varadwaj, Pradeep R. Varadwaj, Helder Marques, Koichi Yamashita

International Journal of Molecular Sciences 23(9) 2022年4月査読有り筆頭著者責任著者

Geometrical‐, Electronic‐ and Optical Properties of Vanadium Dioxide: A Theoretical Perspective from Meta‐GGA SCAN

Arpita Varadwaj, Takashi Miyake

ChemistrySelect 7(13) 2022年3月30日査読有り筆頭著者責任著者

Nature of halogen-centered intermolecular interactions in crystal growth and design: Fluorine-centered interactions in dimers in crystalline hexafluoropropylene as a prototype.

Arpita Varadwaj, Helder M Marques, Pradeep R Varadwaj

Journal of computational chemistry 40(20) 1836-1860 2019年7月30日査読有り筆頭著者責任著者

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 Varadwaj

Molecules (Basel, Switzerland) 24(3) 2019年1月22日査読有り筆頭著者

Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CH3NH3PbI3 hybrid organic-inorganic halide perovskite solar cell semiconductor.

Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques, Koichi Yamashita

Scientific reports 9(1) 50-50 2019年1月10日査読有り

Halogen in materials design: Chloroammonium lead triiodide perovskite (ClNH3 PbI3 ) a dynamical bandgap semiconductor in 3D for photovoltaics.

Pradeep R Varadwaj, Arpita Varadwaj, Helder M Marques, Koichi Yamashita

Journal of computational chemistry 39(23) 1902-1912 2018年9月5日査読有り責任著者

Halogen in materials design: Revealing the nature of hydrogen bonding and other non-covalent interactions in the polymorphic transformations of methylammonium lead tribromide perovskite

Arpita Varadwaj, Pradeep R. Varadwaj, Helder M. Marques, Koichi Yamashita

Materials Today Chemistry 9 1-16 2018年9月査読有り筆頭著者責任著者

Halogen in materials design: Fluoroammonium lead triiodide (FNH<inf>3</inf>PbI<inf>3</inf>) perovskite as a newly discovered dynamical bandgap semiconductor in 3D

Arpita Varadwaj, Pradeep R. Varadwaj, Koichi Yamashita

International Journal of Quantum Chemistry 118(15) 1 2018年8月5日査読有り筆頭著者

Revealing the Cooperative Chemistry of the Organic Cation in the Methylammonium Lead Triiodide Perovskite Semiconductor System

Arpita Varadwaj, Pradeep R. Varadwaj, Koichi Yamashita

ChemistrySelect 3(25) 7269-7282 2018年7月6日査読有り筆頭著者

Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles Studies.

Arpita Varadwaj, Pradeep R Varadwaj, Helder M Marques, Koichi Yamashita

Chemphyschem : a European journal of chemical physics and physical chemistry 19(12) 1486-1499 2018年6月19日査読有り筆頭著者

A DFT assessment of some physical properties of iodine-centered halogen bonding and other non-covalent interactions in some experimentally reported crystal geometries.

Arpita Varadwaj, Pradeep R Varadwaj, Helder M Marques, Koichi Yamashita

Physical chemistry chemical physics : PCCP 20(22) 15316-15329 2018年6月6日査読有り筆頭著者

Do surfaces of positive electrostatic potential on different halogen derivatives in molecules attract? like attracting like!

Arpita Varadwaj, Pradeep R Varadwaj, Koichi Yamashita

Journal of computational chemistry 39(7) 343-350 2018年3月15日査読有り筆頭著者

Revealing the Chemistry between Band Gap and Binding Energy for Lead-/Tin-Based Trihalide Perovskite Solar Cell Semiconductors.

Arpita Varadwaj, Pradeep R Varadwaj, Koichi Yamashita

ChemSusChem 11(2) 449-463 2018年1月23日査読有り筆頭著者

Hybrid organic-inorganic CH3 NH3 PbI3 perovskite building blocks: Revealing ultra-strong hydrogen bonding and mulliken inner complexes and their implications in materials design.

Arpita Varadwaj, Pradeep R Varadwaj, Koichi Yamashita

Journal of computational chemistry 38(32) 2802-2818 2017年12月15日査読有り筆頭著者

Can an entirely negative fluorine in a molecule, viz. perfluorobenzene, interact attractively with the entirely negative site(s) on another molecule(s)? Like liking like!

Arpita Varadwaj, Pradeep R. Varadwaj, Bih Yaw Jin

RSC Advances 6(23) 19098-19110 2016年査読有り筆頭著者

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