Search filters

Authors whose works are in public domain in at least one jurisdiction

List of works by Binh Khanh Mai

Carbenoid alkene insertion reactions of oxiranyllithiums

scientific article published on 26 September 2012

Determination of Spin Inversion Probability, H-Tunneling Correction, and Regioselectivity in the Two-State Reactivity of Nonheme Iron(IV)-Oxo Complexes

scientific article

Development and characterization of monomeric N-end rule inhibitors through in vitro model substrates.

scientific article

Esterification of Tertiary Amides: Remarkable Additive Effects of Potassium Alkoxides for Generating Hetero Manganese-Potassium Dinuclear Active Species

scientific article published on 09 August 2020

Estimation of the Binding Free Energy of AC1NX476 to HIV-1 Protease Wild Type and Mutations Using Free Energy Perturbation Method

scientific article published on 14 January 2015

Excited-state multiple proton transfer depending on the acidity and basicity of mediating alcohols in 7-azaindole-(ROH)2 (R = H, CH3) complexes: a theoretical study

scientific article published on 02 February 2015

Highly Selective Palladium-Catalyzed Hydroborylative Carbocyclization of Bisallenes to Seven-Membered Rings

scientific article published on 17 October 2018

Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study

scientific article published on 11 September 2019

Is It Fe(III)-Oxyl Radical That Abstracts Hydrogen in the C-H Activation of TauD? A Theoretical Study Based on the DFT Potential Energy Surfaces.

scientific article published on 31 March 2016

Kinetic Isotope Effects as a Probe for the Protonolysis Mechanism of Alkylmetal Complexes: VTST/MT Calculations Based on DFT Potential Energy Surfaces

scientific article published on 12 September 2016

Lithium cuprate coupling reactions: evaluation of computational methods for determination of the reaction mechanisms.

scientific article published in April 2010

Mechanical unfolding of acylphosphatase studied by single-molecule force spectroscopy and MD simulations.

scientific article published on July 2010

Mechanisms of Rh-Catalyzed Oxyaminofluorination and Oxyaminotrifluoromethylthiolation of Diazocarbonyl Compounds with Electrophilic Reagents

scientific article published on 12 October 2018

Neuraminidase inhibitor R-125489 – A promising drug for treating influenza virus: Steered molecular dynamics approach ⬇️

scientific article published on June 12, 2011

Proton Transfer Dependence on Hydrogen-Bonding of Solvent to the Water Wire: A Theoretical Study ⬇️

scientific article published on December 26, 2012

Stereoselective amino acid synthesis by synergistic photoredox-pyridoxal radical biocatalysis

scientific article published on 27 July 2023

Study of Tamiflu sensitivity to variants of A/H5N1 virus using different force fields.

scientific article

Substrate-dependent H/D kinetic isotope effects and the role of the di(μ-oxo)diiron(IV) core in soluble methane monooxygenase: a theoretical study

scientific article published on 08 April 2014

The kinetic isotope effect as a probe of spin crossover in the C-H activation of methane by the FeO(+) cation

scientific article published on 04 February 2015

Top leads for swine influenza A/H1N1 virus revealed by steered molecular dynamics approach.

scientific article

VTST/MT studies of the catalytic mechanism of C-H activation by transition metal complexes with [Cu2(μ-O2)], [Fe2(μ-O2)] and Fe(IV)-O cores based on DFT potential energy surfaces.

scientific article published on 16 January 2017

Paulina is supported by:

About Paulina

Help