S
Sudip Pan
Researcher at Nanjing Tech University
Publications - 177
Citations - 4449
Sudip Pan is an academic researcher from Nanjing Tech University. The author has contributed to research in topics: Covalent bond & Chemistry. The author has an hindex of 30, co-authored 149 publications receiving 2987 citations. Previous affiliations of Sudip Pan include Center for Theoretical Studies, University of Miami & Jacobs University Bremen.
Papers
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Journal ArticleDOI
How strong are the metallocene–metallocene interactions? Cases of ferrocene, ruthenocene, and osmocene
Alba Vargas-Caamal,Sudip Pan,Filiberto Ortiz-Chi,José Luis Cabellos,Roberto A. Boto,Julia Contreras-García,Albeiro Restrepo,Pratim Kumar Chattaraj,Gabriel Merino +8 more
TL;DR: An exhaustive exploration of the potential energy surfaces of ferrocene, ruthenocene and osmocene dimers reveals that inclusion of entropic factors modifies the relative stability of the complexes and indicates that dispersion is the major contributing factor in stabilizing a metallocene dimer.
Journal ArticleDOI
Exploring the nature of silicon-noble gas bonds in H3SiNgNSi and HSiNgNSi compounds (Ng = Xe, Rn).
TL;DR: Energy decomposition analysis reveals that the contribution from the orbital term (ΔEorb) is dominant towards the total attraction energy associated with the Si-Ng bond, whereas the electrostatic term contributes the maximum for the same in the Ng–N bond, implying the covalent nature of the former bond and the ionicnature of the latter.
Journal ArticleDOI
Noble gas supported B3+ cluster: formation of strong covalent noble gas–boron bonds
TL;DR: In this paper, the stability of noble gas (Ng) bound B3+ clusters is assessed via an in silico study, highlighting their structure and the nature of the Ng-B bonds.
Book ChapterDOI
Biological Activity and Toxicity: A Conceptual DFT Approach
TL;DR: Possible anticancer activity of two new metal-borane clusters is analyzed and quantitative structure-activity relationship (QSAR) models for biological activity and toxicity in terms of global and local reactivity descriptors are generated.
Journal ArticleDOI
Octacarbonyl Anion Complexes of the Late Lanthanides Ln(CO)8− (Ln=Tm, Yb, Lu) and the 32‐Electron Rule
Jiaye Jin,Sudip Pan,Xiaoyang Jin,Shujun Lei,Lili Zhao,Gernot Frenking,Gernot Frenking,Mingfei Zhou +7 more
TL;DR: The analysis of the electronic structures of the lanthanide octacarbonyl anion complexes revealed that the metal-CO attractive forces come mainly from covalent orbital interactions, which are dominated by [Ln(d)]→(CO)8 π backdonation and [LN(d]←(CO]8 σ donation (contributes ≈77 and 16 % to covalents bonding, respectively).