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List of works by Vyacheslav S Bryantsev

"Straining" to Separate the Rare Earths: How the Lanthanide Contraction Impacts Chelation by Diglycolamide Ligands.

scientific article published on 23 November 2016

A comparative study of surface energies and water adsorption on Ce-bastnäsite, La-bastnäsite, and calcite via density functional theory and water adsorption calorimetry.

scientific article published on 6 March 2017

A rechargeable Li-O2 battery using a lithium nitrate/N,N-dimethylacetamide electrolyte.

scientific article

Acidity of the amidoxime functional group in aqueous solution: a combined experimental and computational study

scientific article published on 10 February 2015

Amidoximes as ligand functionalities for braided polymeric materials for the recovery of uranium from seawater

article

Anion-arene adducts: C-H hydrogen bonding, anion-pi interaction, and carbon bonding motifs

scientific article published on 04 March 2008

Aqueous Sulfate Separation by Sequestration of [(SO4 )2 (H2 O)4 ](4-) Clusters within Highly Insoluble Imine-Linked Bis-Guanidinium Crystals

scientific article published on 08 December 2015

Are C-H groups significant hydrogen bonding sites in anion receptors? Benzene complexes with Cl-, NO3-, and ClO4-.

scientific article published in June 2005

Assessing ligand selectivity for uranium over vanadium ions to aid in the discovery of superior adsorbents for extraction of UO2(2+) from seawater

scientific article published on 01 June 2016

Bio-inspired nano-traps for uranium extraction from seawater and recovery from nuclear waste.

scientific article published on 24 April 2018

Bis-lactam-1,10-phenanthroline (BLPhen), a New Type of Preorganized Mixed N,O-Donor Ligand That Separates Am(III) over Eu(III) with Exceptionally High Efficiency

scientific article

Calculation of solvation free energies of charged solutes using mixed cluster/continuum models.

scientific article published on 23 July 2008

Comparison of fixed charge and polarizable models for predicting the structural, thermodynamic, and transport properties of molten alkali chlorides

scientific article published on 01 December 2020

Computational study of copper(II) complexation and hydrolysis in aqueous solutions using mixed cluster/continuum models.

scientific article published on 5 August 2009

Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants

scientific article published on 17 February 2016

Conformational analysis and rotational barriers of alkyl- and phenyl-substituted urea derivatives

scientific article published on 01 February 2005

Conformational preferences and internal rotation in alkyl- and phenyl-substituted thiourea derivatives

scientific article published on 01 April 2006

Connections between the Speciation and Solubility of Ni(II) and Co(II) in Molten ZnCl2

scientific article published on 12 February 2020

Development of a ReaxFF reactive force field for aqueous chloride and copper chloride

scientific article published on 01 March 2010

Efficient Separation of Light Lanthanides(III) by Using Bis-Lactam Phenanthroline Ligands

scientific article published on 27 March 2019

Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl2-KCl Mixtures

scientific article published on 26 November 2019

Evaluation of B3LYP, X3LYP, and M06-Class Density Functionals for Predicting the Binding Energies of Neutral, Protonated, and Deprotonated Water Clusters.

scientific article published on 12 March 2009

Experimental and Computational Analysis of the Solvent-Dependent O2/Li(+)-O2(-) Redox Couple: Standard Potentials, Coupling Strength, and Implications for Lithium-Oxygen Batteries

scientific article published on 28 January 2016

Exploring Soft Donor Character of the N-2-Pyrazinylmethyl Group by Coordinating Trivalent Actinides and Lanthanides Using Aminopolycarboxylates

scientific article published on 20 August 2019

Finding Order in the Disordered Hydration Shell of Rapidly Exchanging Water Molecules around the Heaviest Alkali Cs+ and Fr

scientific article published on 07 December 2018

First-Principles Integrated Adsorption Modeling for Selective Capture of Uranium from Seawater by Polyamidoxime Sorbent Materials.

scientific article published on 27 March 2018

Hydration of copper(II): new insights from density functional theory and the COSMO solvation model.

scientific article

Hydration structure and water exchange kinetics at xenotime-water interfaces: implications for rare earth minerals separation

scientific article published on 10 March 2020

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants.

scientific article

Influence of a Pre-organized N-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by an Aminopolycarboxylate Complexant

scientific article published on 21 January 2019

Influence of substituents on the strength of aryl C-H...anion hydrogen bonds

scientific article published on 01 October 2005

Molecular Recognition at Mineral Interfaces: Implications for the Beneficiation of Rare Earth Ores

scientific article published on 31 March 2020

Origin of the unusually strong and selective binding of vanadium by polyamidoximes in seawater.

scientific article

PAMAM dendrimers undergo pH responsive conformational changes without swelling.

scientific article published in March 2009

Predicting autoxidation stability of ether- and amide-based electrolyte solvents for Li-air batteries

scientific article

Predicting solvent stability in aprotic electrolyte Li-air batteries: nucleophilic substitution by the superoxide anion radical (O2(•-)).

scientific article

Predicting stability constants for uranyl complexes using density functional theory.

scientific article published on 2 April 2015

Predicting the electrochemical behavior of lithium nitrite in acetonitrile with quantum chemical methods

scientific article published on 11 February 2014

Quantifying the binding strength of salicylaldoxime-uranyl complexes relative to competing salicylaldoxime-transition metal ion complexes in aqueous solution: a combined experimental and computational study.

scientific article published on 16 March 2016

Quantum chemical semiempirical approach to the structural and thermodynamic characteristics of fluoroalkanols at the air/water interface

scientific article published on 01 January 2005

Siderophore-inspired chelator hijacks uranium from aqueous medium

scientific article published on 18 February 2019

Stability of Lithium Superoxide LiO2 in the Gas Phase: Computational Study of Dimerization and Disproportionation Reactions ⬇️

scientific article published on August 12, 2010

Structural criteria for the design of anion receptors: the interaction of halides with electron-deficient arenes

scientific article published on 01 January 2007

Structure Activity Relationship Approach toward the Improved Separation of Rare-Earth Elements Using Diglycolamides

scientific article published on 13 November 2020

Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective

scientific article published on 26 August 2020

Temperature Dependence of Short and Intermediate Range Order in Molten MgCl2 and Its Mixture with KCl

scientific article published on 30 March 2020

Theoretical prediction of Am(iii)/Eu(iii) selectivity to aid the design of actinide-lanthanide separation agents

scientific article published on 01 May 2015

Theoretical study of the coordination behavior of formate and formamidoximate with dioxovanadium(V) cation: implications for selectivity towards uranyl

scientific article published on 11 November 2015

Thermodynamic, Spectroscopic, and Computational Studies of f-Element Complexation by N-Hydroxyethyl-diethylenetriamine-N,N',N″,N″-tetraacetic Acid

scientific article published on 24 January 2017

Trefoil-Shaped Outer-Sphere Ion Clusters Mediate Lanthanide(III) Ion Transport with Diglycolamide Ligands.

scientific article

Two Ligands of Interest in Recovering Uranium from the Oceans: The Correct Formation Constants of the Uranyl(VI) Cation with 2,2′-Bipyridyl-6,6′-dicarboxylic Acid and 1,10-Phenanthroline-2,9-dicarboxylic Acid

scientific article published in 2022

Two-electron three-centered bond in side-on (eta2) uranyl(V) superoxo complexes

scientific article published on 10 June 2008

pKa calculations of aliphatic amines, diamines, and aminoamides via density functional theory with a Poisson-Boltzmann continuum solvent model.

scientific article published in May 2007

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