Search filters

List of works by Dongqi Wang

A computational study on the complexation of Np(V) with N,N,N',N'-tetramethyl-3-oxa-glutaramide (TMOGA) and its carboxylate analogs

scientific article

Computational Comparative Mechanistic Study of C-E (E=C,N,O,S) Coupling Reactions through CO2 Activation Mediated by Uranium(III) Complexes

scientific article published on 27 November 2018

Evaluation of Influencing Factors in Tetravalent Uranium Complex-Mediated CO2 Functionalization by Density Functional Theory

scientific article published on 20 March 2020

Influence of Speciation of Thorium on Toxic Effects to Green Algae Chlorella pyrenoidosa

scientific article

Influence of a bridging group and the substitution effect of bis(1,2,4-triazine) N-donor extractants on their interactions with a Np(V) cation

scientific article published on 11 July 2014

Ligand-exchange mechanism: new insight into solid-phase extraction of uranium based on a combined experimental and theoretical study

scientific article published on 01 March 2015

New Features in the Catalytic Cycle of Cytochrome P450 during the Formation of Compound I from Compound 0

scientific article published on 01 October 2005

Phosphine-Catalyzed Enantioselective [4 + 3] Annulation of Allenoates with C,N-Cyclic Azomethine Imines: Synthesis of Quinazoline-Based Tricyclic Heterocycles

scientific article published on 21 October 2016

Polarizable and Non-Polarizable Force Field Representations of Ferric Cation and Validations

scientific article published on 16 May 2017

QM/MM study of mechanisms for compound I formation in the catalytic cycle of cytochrome P450cam

scientific article

Quantum and Molecular Mechanical Study of the First Proton Transfer in the Catalytic Cycle of Cytochrome P450cam and Its Mutant D251N

Recent advances in computational actinoid chemistry.

scientific article published on 09 July 2012

Stronger Hydration of Eu(III) Impedes Its Competition against Am(III) in Binding with N-donor Extractants

scientific article published on 13 April 2020

Structure of the type VI secretion phospholipase effector Tle1 provides insight into its hydrolysis and membrane targeting

scientific article

The influence of humic substances on uranium biomineralization induced by Bacillus sp. dwc-2

scientific article published on 28 November 2018

Theoretical investigation on the mechanism and dynamics of oxo exchange of neptunyl(VI) hydroxide in aqueous solution

scientific article published in March 2015

Theoretical study on the ground state structure of uranofullerene U@C82

scientific article published on 15 November 2012

Trivalent Uranium Complex As a Catalyst to Promote the Functionalization of Carbon Dioxide and Carbon Disulfide: A Computational Mechanistic Study

scientific article published on 16 August 2012

Paulina is supported by:

About Paulina

Help