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Rakesh Pant

3 results in Authors: Rakesh Pant

Theoretical and Computational Chemistry

An efficient state-specific frozen natural orbital based equation of motion coupled cluster method for core-ionization energies: theory, implementation and benchmark

Amrita Manna, Bhavnesh Jangid, Rakesh Pant, Achintya Kumar Dutta

Version 2 posted 24 April 2024

187

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Theoretical and Computational Chemistry

Ultrafast Proton Transfer Reaction in Phenol–(Ammonia)n Clusters: An Ab-Initio Molecular Dynamics Investigation.

Reman Kumar Singh, Rakesh Pant, G Naresh Patwari

Version 2 posted 03 January 2022

361

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Synergetic hydrogen-bond network of functionalized graphene and cations for enhanced atmospheric water capture

Xiaojun Ren, Xiao Sui, Llewellyn Owens, Daisuke Asanoma, Dali Ji, Xinyue Wen, Kamal Pant, Vanesa Quintano, Daria Andreeva, Kostya Novoselov, Yuta Nishina, Amir Karton, Tobias Foller, Rakesh Joshi

Version 2 posted 18 September 2024

351

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