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个人简介
His research interests center on the understanding of the chemical bond and the associated physical properties in main-group and transition-metal inorganic chemistry. He uses a variety of quantum chemical computational tools including Density Functional Theory methods to tackle problems of electron counting, structure, and physical properties of both molecular and solid-state systems. His main recent investigations include (i) The electronic structure and physic-chemical properties of large (molecular, nanosized, and solid-state) inorganic transition metal clusters; (ii) The study of the metal-to-carbon bonding and physical properties in polymetallic compounds containing carbon ligands for potential application in electronics and (linear and non-linear) optics; (iii) The electronic and optical properties of organic-boron and metal-boron molecular compounds, and (iv) The understanding of the structural arrangement and the physical (conducting, thermoelectric…) properties of diverse solid-state compounds (borides, boride carbides, nitrides, chalcogenides, intermetallics, etc.).
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论文共 370 篇作者统计合作学者相似作者
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MATERIALS ADVANCESno. 3 (2024): 1217-1225
Molecules (Basel, Switzerland)no. 10 (2024): 2407
Alaka Nanda Pradhan,Shivankan Mishra,Urminder Kaur, Bikram Keshari Rout,Jean-François Halet,Sundargopal Ghosh
Molecules (Basel, Switzerland)no. 11 (2024): 2688
INORGANIC CHEMISTRY (2023)
npj Computational Materialsno. 1 (2023): 1-9
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIEno. 15 (2023)
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