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List of works by Maoping Pu

Ab Initio Molecular Dynamics with Explicit Solvent Reveals a Two-Step Pathway in the Frustrated Lewis Pair Reaction

scientific article published on 03 November 2015

Ab initio dynamics trajectory study of the heterolytic cleavage of H2 by a Lewis acid [B(C6F5)3] and a Lewis base [P(tBu)3].

scientific article

Ab initio molecular dynamics study of hydrogen cleavage by a Lewis base [tBu3P] and a Lewis acid [B(C6F5)3] at the mesoscopic level--dynamics in the solute-solvent molecular clusters

scientific article published on 26 August 2014

Binding of CO2 by a Mes2PCH2CH2B(C6F5)2 species: an involvement of the ground state species in a low-energy pathway.

scientific article published on 4 November 2013

Divergent Reactivity of Stannane and Silane in the Trifluoromethylation of PdII : Cyclic Transition State versus Difluorocarbene Release

scientific article published on 17 October 2018

How frustrated Lewis acid/base systems pass through transition-state regions: H2 cleavage by [tBu3P/B(C6F5)3].

scientific article published on 8 August 2014

Investigation of (Me4 N)SCF3 as a Stable, Solid and Safe Reservoir for S=CF2 as a Surrogate for Thiophosgene

scientific article

Liberation of H2 from (o-C6H4Me)3P-H(+) + (-)H-B(p-C6F4H)3 ion-pair: A transition-state in the minimum energy path versus the transient species in Born-Oppenheimer molecular dynamics.

scientific article

Mononuclear homoleptic allyl complexes of the first row transition metals: species with unusual metal electronic configurations

scientific article published on 04 April 2011

Toward Controlling Water Oxidation Catalysis: Tunable Activity of Ruthenium Complexes with Axial Imidazole/DMSO Ligands

scientific article published on 05 November 2012

Uncovering the role of intra- and intermolecular motion in frustrated Lewis acid/base chemistry: ab initio molecular dynamics study of CO2 binding by phosphorus/boron frustrated Lewis pair [tBu3P/B(C6F5)3]

scientific article published on 15 April 2014

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