Zobrazeno 1 - 10 of 44 pro vyhledávání: '"Ranita Pal"'
1
Akademický článek
On the Nature of the Partial Covalent Bond between Noble Gas Elements and Noble Metal Atoms
Autor: Ranita Pal, Pratim Kumar Chattaraj
Publikováno v: Molecules, Vol 28, Iss 7, p 3253 (2023)
This article provides a discussion on the nature of bonding between noble gases (Ng) and noble metals (M) from a quantum chemical perspective by investigating compounds such as NgMY (Y=CN, O, NO3, SO4, CO3), [NgM−(bipy)]+, NgMCCH, and MCCNgH comple
Externí odkaz: https://doaj.org/article/48c2ca5f8e524385b9cc34feeaf01ee7
Zobrazit plný text záznamu
2
Akademický článek
Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms?
Autor: Ranita Pal, Pratim Kumar Chattaraj
Publikováno v: Molecules, Vol 27, Iss 24, p 8683 (2022)
A density functional theory study is performed to determine the stability and bonding in the neon dimer inside the B30N30 fullerene cage, the fluxional B40 cage, and within non-fluxional cages such as B12N12 and C60. The nature of bonding in the Ne2
Externí odkaz: https://doaj.org/article/f715dc7d6b964afeaf10dbd7e3479d92
Zobrazit plný text záznamu
3
Akademický článek
Aromatic Clusters as Potential Hydrogen Storage Materials
Autor: Ranita Pal, Pratim Kumar Chattaraj
Publikováno v: Frontiers in Energy Research, Vol 9 (2021)
The scientific community is engrossed in the thought of a probable solution to the future energy crisis keeping in mind a better environment-friendly alternative. Although there are many such alternatives, the green hydrogen energy has occupied most
Externí odkaz: https://doaj.org/article/35b2868d3eb54e1087f70d33c6951412
Zobrazit plný text záznamu
4
Akademický článek
Quantitative Structure–Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective
Autor: Ranita Pal, Shanti Gopal Patra, Pratim Kumar Chattaraj
Publikováno v: Pharmaceuticals, Vol 15, Iss 11, p 1383 (2022)
The preclinical drug discovery stage often requires a large amount of costly and time-consuming experiments using huge sets of chemical compounds. In the last few decades, this process has undergone significant improvements by the introduction of qua
Externí odkaz: https://doaj.org/article/443d8873b8eb4b139f7752081057d87b
Zobrazit plný text záznamu
5
Akademický článek
Atomic Clusters: Structure, Reactivity, Bonding, and Dynamics
Autor: Ranita Pal, Arpita Poddar, Pratim Kumar Chattaraj
Publikováno v: Frontiers in Chemistry, Vol 9 (2021)
Atomic clusters lie somewhere in between isolated atoms and extended solids with distinctly different reactivity patterns. They are known to be useful as catalysts facilitating several reactions of industrial importance. Various machine learning base
Externí odkaz: https://doaj.org/article/0a7df7c2f79c472ead8d1b09eddd9189
Zobrazit plný text záznamu
6
Akademický článek
Activation of Small Molecules and Hydrogenation of CO2 Catalyzed by Frustrated Lewis Pairs
Autor: Ranita Pal, Manas Ghara, Pratim Kumar Chattaraj
Publikováno v: Catalysts, Vol 12, Iss 2, p 201 (2022)
The chemistry of frustrated Lewis pair (FLP) is widely explored in the activation of small molecules, the hydrogenation of CO2, and unsaturated organic species. A survey of several experimental works on the activation of small molecules by FLPs and t
Externí odkaz: https://doaj.org/article/96a10dc6039249ff85f707c22e6a7005
Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání

Omezení vyhledávání
Plný text Recenzováno Digitální knihovna AV ČR
Zdroje