V. Bryantsev

发表

A conformationally persistent pseudo-bicyclic guanidinium for anion coordination as stabilized by dual intramolecular hydrogen bonds

B. Moyer, N. Williams, R. Custelcean, 2015 .

Simple guanidinium motif for the selective binding and extraction of sulfate

B. Moyer, N. Williams, Charles A Seipp, 2018 .

Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants

J. Keith, J. Johnson, Minh Nguyen Vo, 2018 .

Radiometric evaluation of diglycolamide resins for the chromatographic separation of actinium from fission product lanthanides.

Justin J. Wilson, S. Mirzadeh, J. Engle, 2017, Talanta.

A Computational Approach to Predicting Ligand Selectivity for the Size‐Based Separation of Trivalent Lanthanides

V. Bryantsev, A. S. Ivanov, 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.

P. Kent, Radha Shivaramaiah, A. Navrotsky, 2017, Physical chemistry chemical physics : PCCP.

Dialing in Direct Air Capture of CO2 by Crystal Engineering of Bisiminoguanidines.

N. Williams, R. Custelcean, M. Kidder, 2020, ChemSusChem.

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.

R. Hancock, S. Dai, V. Bryantsev, 2022, Inorganic chemistry.

Anti-electrostatic hydrogen-bonded tellurate dimers captured and stabilized by crystallization of a bis-iminoguanidinium salt

R. Custelcean, Jeffrey D. Einkauf, V. Bryantsev, 2022, Polyhedron.

Guanidinium-Based Ionic Covalent-Organic Nanosheets for Sequestration of Cr(VI) and As(V) Oxoanions in Water

S. Mahurin, Ilja Popovs, S. Jansone‐Popova, 2021, ACS Applied Nano Materials.

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

S. Dai, Zhicheng Zhang, L. Rao, 2017, Nature Communications.

Synthesis of Naphthalimidedioxime Ligand-Containing Fibers for Uranium Adsorption from Seawater

R. Mayes, S. Dai, Tomonori Saito, 2016 .

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

S. Dai, R. Hancock, Chi-Linh Do-Thanh, 2016 .

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

V. Bryantsev, A. S. Ivanov, 2016, Dalton transactions.

A density functional theory based approach for predicting melting points of ionic liquids.

Lihua Chen, V. Bryantsev, 2017, Physical chemistry chemical physics : PCCP.

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

Ryan S. DeFever, C. Margulis, E. Maginn, 2020, The Journal of chemical physics.

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

L. Wojtas, Shengqian Ma, J. Perman, 2018, Nature Communications.

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

B. Moyer, Ilja Popovs, S. Jansone‐Popova, 2020, Inorganic chemistry.

Transferable Deep Learning Potential Reveals Intermediate-Range Ordering Effects in LiF–NaF–ZrF4 Molten Salt

M. Brehm, Rajni Chahal, V. Bryantsev, 2022, JACS Au.

Improving Rare-Earth Mineral Separation with Insights from Molecular Recognition: Functionalized Hydroxamic Acid Adsorption onto Bastnäsite and Calcite.

V. Bocharova, H. Meyer, R. Sacci, 2022, Langmuir : the ACS journal of surfaces and colloids.

Elucidating the coordination chemistry of the radium ion for targeted alpha therapy.

L. Delmau, Paul D Benny, Nikki A Thiele, 2022, Chemical communications.

Determination of the Vanadium Binding Mode on Seawater-Contacted Polyamidoxime Adsorbents

C. Abney, V. Bryantsev, A. Ivanov, 2017 .

Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases.

Kersti Hermansson, David Raymand, William A Goddard, 2010, The journal of physical chemistry. A.

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

William A Goddard, V. S. Bryantsev, A. V. van Duin, 2009, Journal of chemical theory and computation.

Comment on Using Cyclic Voltammetry to Determine a Standard Potential of a Reversible Redox Couple Involving Oxidation or Reduction of a Gas

Gregory V. Chase, Dan Addison, V. Bryantsev, 2013 .

Substituent Effects on Hyperfine Coupling Constants Analyzed in Terms of π-Bound Electron Perturbation Theory

Yu. B. Vysotskii, V. Bryantsev, 2003 .

Nucleation Rate Theory for Coordination Number: Elucidating Water-Mediated Formation of a Zigzag Na2SO4 Morphology.

V. Bocharova, Santanu Roy, A. Stack, 2022, ACS applied materials & interfaces.

ReaxFF Reactive Force Field Simulations on the Influence of Teflon on Electrolyte Decomposition during Li/SWCNT Anode Discharge in Lithium-Sulfur Batteries

A. V. Duin, Mahbubul Islam, V. Bryantsev, 2014 .

Investigation of Fluorinated Amides for Solid–Electrolyte Interphase Stabilization in Li–O2 Batteries Using Amide-Based Electrolytes

Gregory V. Chase, Vincent Giordani, W. Walker, 2013 .

Predicting the stability of aprotic solvents in Li-air batteries: pKa calculations of aliphatic C–H acids in dimethyl sulfoxide

V. Bryantsev, 2013 .

Calculation of solvation free energies of Li+ and O2− ions and neutral lithium–oxygen compounds in acetonitrile using mixed cluster/continuum models

V. Bryantsev, 2012, Theoretical Chemistry Accounts.

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

F. Faglioni, V. Bryantsev, 2012, The journal of physical chemistry. A.

The Identification of Stable Solvents for Nonaqueous Rechargeable Li-Air Batteries

Gregory V. Chase, Vincent Giordani, W. Walker, 2012 .

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

Jasim Uddin, Dan Addison, Mario Blanco, 2011, The journal of physical chemistry. A.

XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies

R. Mayes, S. Dai, G. Veith, 2016 .

Photoreaction of Indazole Metastable-State Photoacid

V. Bocharova, Alan B. Brown, Y. Liao, 2023, SSRN Electronic Journal.

Computer-Aided Design of Organic Host Architectures for Selective Chemosensors

Benjamin P. Hay, Vyacheslav S. Bryantsev, B. Hay, 2009 .

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.

N. Williams, R. Mayes, S. Dai, 2016, Dalton transactions.

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

S. Dai, N. Mehio, J. C. Johnson, 2015, Physical Chemistry, Chemical Physics - PCCP.

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

A. V. van Duin, W. Goddard, M. S. Diallo, 2008, The journal of physical chemistry. A.

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

B. Hay, V. Bryantsev, 2008, Chemical communications.

Using the MMFF94 model to predict structures and energies for hydrogen-bonded urea–anion complexes

B. Hay, V. Bryantsev, 2005 .

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

V. S. Bryantsev, B. Moyer, S. Jansone‐Popova, 2019, Chemistry.

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.

V. S. Bryantsev, B. Moyer, F. Sloop, 2017, Inorganic chemistry.

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

V. S. Bryantsev, B. Moyer, L. Delmau, 2017, Inorganic chemistry.

Anion Coordination in Metal−Organic Frameworks Functionalized with Urea Hydrogen-Bonding Groups

B. Moyer, R. Custelcean, B. Hay, 2006 .

De novo structure-based design of bisurea hosts for tetrahedral oxoanion guests.

B. Hay, V. Bryantsev, 2006, Journal of the American Chemical Society.

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

N. Williams, R. Custelcean, Charles A Seipp, 2016, Chemistry.

Capping the calix: how toluene completes cesium(i) coordination with calix[4]pyrrole.

B. Moyer, N. Williams, Benjamin J. Reinhart, 2017, Chemical communications.

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

V. S. Bryantsev, B. Hay, V. Bryantsev, 2005, Journal of the American Chemical Society.

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

V. S. Bryantsev, B. Hay, V. Bryantsev, 2005, Organic letters.

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

B. Hay, V. Bryantsev, 2006, The journal of physical chemistry. A.

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

B. Hay, T. K. Firman, V. Bryantsev, 2005, The journal of physical chemistry. A.

CO2 Capture via Crystalline Hydrogen-Bonded Bicarbonate Dimers

N. Williams, R. Custelcean, M. Kidder, 2019, Chem.

Outer-Sphere Water Clusters Tune the Lanthanide Selectivity of Diglycolamides

B. Moyer, N. Williams, Anna G Baldwin, 2018, ACS central science.

Enhancing selectivity of cation exchange with anion receptors.

V. S. Bryantsev, B. Moyer, N. Williams, 2019, Chemical communications.

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

Jonathan E. Sutton, T. Windus, B. Moyer, 2020, ACS applied materials & interfaces.

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

M. Gordon, T. Windus, B. Moyer, 2016, Inorganic chemistry.

Predicting stability constants for uranyl complexes using density functional theory.

B. Hay, S. Vuković, V. Bryantsev, 2015, Inorganic chemistry.

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

Orion B. Berryman, V. S. Bryantsev, Darren W. Johnson, 2007, Journal of the American Chemical Society.

Selective separation of americium from europium using 2,9-bis(triazine)-1,10-phenanthrolines in ionic liquids: a new twist on an old story.

V. S. Bryantsev, N. Williams, S. Dai, 2017, Chemical communications.

Anion—Arene Adducts: C—H Hydrogen Bonding, Anion—π Interaction, and Carbon Bonding Motifs

B. Hay, V. Bryantsev, 2008 .

Spatial Engineering Direct Cooperativity between Binding Sites for Uranium Sequestration

Yanpei Song, Shengqian Ma, Briana Aguila, 2020, Advanced science.

Siderophore-inspired chelator hijacks uranium from aqueous medium

V. S. Bryantsev, R. Mayes, S. Dai, 2019, Nature Communications.

Spectroscopic characterization of neptunium(VI), plutonium(VI), americium(VI) and neptunium(V) encapsulated in uranyl nitrate hexahydrate.

J. Autschbach, J. Burns, M. Cheshire, 2021, Physical chemistry chemical physics : PCCP.

Quantum chemical analysis of the thermodynamics of 2D cluster formation of odd n-alcohols at the air/water interface

D. Vollhardt, Y. Vysotsky, V. Fainerman, 2002 .

Adsorption mechanism of alkyl hydroxamic acid onto bastnäsite: Fundamental steps toward rational collector design for rare earth elements.

Lili Wu, A. Navrotsky, S. Mahurin, 2019, Journal of colloid and interface science.

Aggregation and re-organization of normal fatty alcohols at the air/water interface: PM3 molecular orbital approximation

D. Vollhardt, Reinhard Miller, R. Miller, 2004 .

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

Santanu Roy, V. Bryantsev, 2018, The journal of physical chemistry. B.

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

B. Moyer, L. Delmau, D. Brigham, 2017, Journal of the American Chemical Society.

Quantum Chemical Analysis of Thermodynamics of the Two-Dimensional Cluster Formation at the Air/Water Interface

V. S. Bryantsev, D. Vollhardt, Reinhard Miller, 2002 .

Crystal Structures, Surface Stability, and Water Adsorption Energies of La-Bastnäsite via Density Functional Theory and Experimental Studies

P. Kent, S. Srinivasan, Radha Shivaramaiah, 2016 .

Unraveling Local Structure of Molten Salts via X-ray Scattering, Raman Spectroscopy, and Ab Initio Molecular Dynamics.

C. Margulis, Shobha Sharma, S. Mahurin, 2021, The journal of physical chemistry. B.

X-ray scattering reveals ion clustering of dilute chromium species in molten chloride medium†

C. Margulis, Shobha Sharma, S. Mahurin, 2021, Chemical science.

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

C. Margulis, Shobha Sharma, S. Dai, 2020, The journal of physical chemistry. B.

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

C. Margulis, S. Dai, S. Mahurin, 2019, The journal of physical chemistry letters.

The Coordination Chemistry and Stoichiometry of Extracted Diglycolamide Complexes of Lanthanides in Extraction Chromatography Materials

B. Moyer, S. Jansone‐Popova, M. Cheshire, 2021, Solvent Extraction and Ion Exchange.

Synthesis and characterization of a novel aminopolycarboxylate complexant for efficient trivalent f-element differentiation: N-butyl-2-acetamide-diethylenetriamine-N,N',N'',N''-tetraacetic acid.

V. S. Bryantsev, C. R. Heathman, T. Grimes, 2018, Dalton transactions.

Characterization of Lanthanum Monazite Surface Chemistry and Crystal Morphology through Density Functional Theory and Experimental Approaches

A. Navrotsky, R. Sacci, Shuhao Yang, 2022, The Journal of Physical Chemistry C.

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

V. S. Bryantsev, Lili Wu, A. Navrotsky, 2020, Physical chemistry chemical physics : PCCP.

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

William A Goddard, W. Goddard, M. S. Diallo, 2007, The journal of physical chemistry. A.

Computational Study of the Mechanisms of Superoxide-Induced Decomposition of Organic Carbonate-Based Electrolytes

Mario Blanco, Vyacheslav S. Bryantsev, M. Blanco, 2011 .

Calculation of thermochemical properties of conjugated radicals

Y. Vysotsky, V. Bryantsev, 2004 .

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

V. S. Bryantsev, W. Goddard, M. S. Diallo, 2008, The journal of physical chemistry. B.

PAMAM dendrimers undergo pH responsive conformational changes without swelling.

W. Goddard, M. S. Diallo, V. Bryantsev, 2009, Journal of the American Chemical Society.

A Holistic Approach for Elucidating Local Structure, Dynamics, and Speciation in Molten Salts with High Structural Disorder.

V. S. Bryantsev, A. Frenkel, J. Wishart, 2021, Journal of the American Chemical Society.

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

V. S. Bryantsev, A. Frenkel, S. Dai, 2020, The journal of physical chemistry. B.

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

L. Wojtas, Shengqian Ma, J. Perman, 2018, Nature Communications.

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

C. Tsouris, S. Yiacoumi, Sadananda Das, 2018, ACS applied materials & interfaces.

Chemical Feedback in the Self-Assembly and Function of Air-Liquid Interfaces: Insight into the Bottlenecks of CO2 Direct Air Capture.

V. Bocharova, R. Custelcean, Benjamin Doughty, 2023, ACS applied materials & interfaces.

Quantum Chemical Prediction of pKa Values of Cationic Ion-Exchange Groups in Polymer Electrolyte Membranes

S. Jansone‐Popova, V. P. N. Nziko, V. Bryantsev, 2018 .

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

Jasim Uddin, Dan Addison, Vincent Giordani, 2013, Journal of the American Chemical Society.

Improving the theoretical description of Ln(III)/An(III) separation with phosphinic acid ligands: a benchmarking study of structure and selectivity.

K. Peterson, Robert C. Chapleski, V. Bryantsev, 2021, Physical chemistry chemical physics : PCCP.

Theoretical Study of Oxovanadium(IV) Complexation with Formamidoximate: Implications for the Design of Uranyl-Selective Adsorbents

S. Dai, N. Mehio, Austin P. Ladshaw, 2016 .

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

C. Margulis, Shobha Sharma, S. Dai, 2020, Physical chemistry chemical physics : PCCP.

A Molecular-Scale Approach to Rare-Earth Beneficiation: Thinking Small to Avoid Large Losses

V. S. Bryantsev, V. Bocharova, A. Kisliuk, 2020, iScience.

Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

V. S. Bryantsev, S. Srinivasan, Ho Nyung Lee, 2017 .

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

Gregory V. Chase, Vincent Giordani, W. Walker, 2014, Journal of the American Chemical Society.

Quantum-chemical Treatment of Cyclization and Recyclization Reactions: XXVI. Effects of Substituents in the Thermal Rearrangement of Methylenecyclopropane

Yu. B. Vysotskii, V. Bryantsev, 2002 .

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

V. S. Bryantsev, O. Rahaman, A. V. van Duin, 2010, The journal of physical chemistry. A.

Bifunctional Ionic Covalent Organic Networks for Enhanced Simultaneous Removal of Chromium(VI) and Arsenic(V) Oxoanions via Synergetic Ion Exchange and Redox Process.

G. Veith, S. Mahurin, Ilja Popovs, 2021, Small.

Complexation of lanthanides and other metal ions by the polypyridyl ligand quaterpyridine: Relation between metal ion size, chelate ring size, and complex stability

S. Dai, R. Hancock, V. Bryantsev, 2019, Inorganica Chimica Acta.

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

B. Hay, V. Bryantsev, 2015, Dalton transactions.

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

Yang Shao-Horn, David G. Kwabi, V. S. Bryantsev, 2016, Angewandte Chemie.

Stability of lithium superoxide LiO2 in the gas phase: computational study of dimerization and disproportionation reactions.

Francesco Faglioni, Mario Blanco, Vyacheslav S. Bryantsev, 2010, The journal of physical chemistry. A.

N-methylacetamide as an Electrolyte Solvent for Rechargeable Li-O2 Batteries: Unexpected Stability at the O2 electrode

Gregory V. Chase, Vincent Giordani, W. Walker, 2013 .

Lithium Nitrate As Regenerable SEI Stabilizing Agent for Rechargeable Li/O2 Batteries

Gregory V. Chase, Vincent Giordani, W. Walker, 2013 .

Synergistic Effect of Oxygen and LiNO3 on the Interfacial Stability of Lithium Metal in a Li/O2 Battery

Gregory V. Chase, Vincent Giordani, W. Walker, 2013 .

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

S. Dai, R. Hancock, Chi-Linh Do-Thanh, 2015, The journal of physical chemistry. B.

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

C. R. Heathman, T. Grimes, S. Jansone‐Popova, 2019, Chemistry.

Electronic Structure, Aromaticity, and Physicochemical Characteristics of Carbene, Radical, and Ionic Forms of Compounds of the Imidazole Series, and their Oxo and Thio Analogs

Y. Vysotsky, O. Gorban, V. Bryantsev, 2002 .

Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity

C. Margulis, Shobha Sharma, S. Dai, 2022, Journal of the American Chemical Society.

Mineral–Water Interface Structure of Xenotime (YPO4) {100}

Alexander D. Gordon, S. Srinivasan, R. Custelcean, 2018, The Journal of Physical Chemistry C.

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

C. R. Heathman, T. Grimes, S. Jansone‐Popova, 2017, Inorganic chemistry.

Highly Preorganized Ligand 1,10-Phenanthroline-2,9-dicarboxylic Acid for the Selective Recovery of Uranium from Seawater in the Presence of Competing Vanadium Species.

V. S. Bryantsev, S. Dai, R. Hancock, 2016, Inorganic chemistry.

Siderophore-inspired chelator hijacks uranium from aqueous medium

R. Mayes, S. Dai, Zhicheng Zhang, 2019, Nature Communications.

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

S. Dai, Zhicheng Zhang, L. Rao, 2017, Nature Communications.

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

W. Goddard, M. S. Diallo, V. Bryantsev, 2009, The journal of physical chemistry. A.

Addition of H2O and O2 to acetone and dimethylsulfoxide ligated uranyl(V) dioxocations.

W. Goddard, W. D. de Jong, M. S. Diallo, 2009, The journal of physical chemistry. A.

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

K. Cossel, W. Goddard, W. D. de Jong, 2008, The journal of physical chemistry. A.

Two‐Electron Three‐Centered Bond in Side‐On (η2) Uranyl(V) Superoxo Complexes.

K. Cossel, W. Goddard, W. A. Jong, 2008 .

Direct Extraction of Sodium Hydroxide by Calix[4]pyrrole-Based Ion-Pair Receptors.

B. Moyer, V. Lynch, J. Sessler, 2023, Journal of the American Chemical Society.

Thermodynamics of two-dimensional cluster formation at the water/air interface. A quantum chemical approach

D. Vollhardt, Reinhard Miller, Y. Vysotsky, 2002 .

High Concentration Lithium Nitrate/Dimethylacetamide Electrolytes for Lithium/Oxygen Cells

Gregory V. Chase, Vincent Giordani, J. Uddin, 2016 .

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

Gregory V. Chase, Vincent Giordani, W. Walker, 2014, Journal of the American Chemical Society.

Structure of the Bastnäsite (001) Surface by Crystal Truncation Rod X-ray Diffraction and Ab Initio Molecular Dynamics: Implications for Separations of a Rare Earth Ore Mineral

R. Custelcean, J. Stubbs, A. Stack, 2023, The Journal of Physical Chemistry C.

Tuning aminopolycarboxylate chelators for efficient complexation of trivalent actinides

C. R. Heathman, T. Grimes, S. Jansone‐Popova, 2023, Scientific reports.

PAMAM dendrimers undergo pH responsive conformational changes without swelling.

W. Goddard, M. S. Diallo, V. Bryantsev, 2009, Journal of the American Chemical Society.

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

W. Goddard, M. S. Diallo, V. Bryantsev, 2009, The journal of physical chemistry. A.

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

David G. Kwabi, C. Thompson, Y. Shao-horn, 2016, Angewandte Chemie.

Neural network based analysis of multimodal bond distributions using extended x-ray absorption fine structure spectra

Nicholas Marcella, V. Bryantsev, Santanu Roy, 2024, Physical Review B.

Taming Molecular Folding: Anion-Templated Foldamers with Tunable Quaternary Structures.

Orion B. Berryman, Daniel A. Decato, M. Erdélyi, 2024, Journal of the American Chemical Society.

Theoretical, Solid-State and Solution Quantification of the Hydrogen Bond Enhanced Halogen Bond.

Orion B. Berryman, Daniel A. Decato, A. M. Riel, 2020, Angewandte Chemie.

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

V. S. Bryantsev, C. R. Heathman, T. Grimes, 2020, Inorganic chemistry.

Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl3.

C. Margulis, D. Maltsev, Phillip W. Halstenberg, 2024, The journal of physical chemistry. B.

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

B. Moyer, L. Delmau, D. Brigham, 2017, Journal of the American Chemical Society.

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

N. Mehio, J. C. Johnson, V. Bryantsev, 2015, Physical chemistry chemical physics : PCCP.

Capping the calix: how toluene completes cesium(i) coordination with calix[4]pyrrole.

B. Moyer, N. Williams, Benjamin J. Reinhart, 2017, Chemical communications.