B. Hay

发表

How Strong Is the Cα−H···OC Hydrogen Bond?

Rubicelia Vargas, J. Garza, A. Dixon, 2000 .

Structural design principles for self-assembled coordination polygons and polyhedra.

B. Hay, N. J. Young, 2013, Chemical communications.

De novo structure-based design of anion receptors.

B. Hay, 2010, Chemical Society reviews.

Ewald methods for polarizable surfaces with application to hydroxylation and hydrogen bonding on the (012) and (001) surfaces of α-Fe2O3

J. W. Halley, E. Wasserman, J. Rustad, 1997, cond-mat/9704070.

Quantitative structure-stability relationship for potassium ion complexation by crown ethers. A molecular mechanics and ab initio study

C. J. Hostetler, J. Rustad, B. Hay, 1993 .

A pyrrolyl-based triazolophane: a macrocyclic receptor with CH and NH donor groups that exhibits a preference for pyrophosphate anions.

J. Sessler, Xiaoping Yang, B. Hay, 2010, Journal of the American Chemical Society.

A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media

J. Sessler, Xiaoping Yang, B. Hay, 2013 .

Cyclic Imide Dioximes: Formation and Hydrolytic Stability

R. Custelcean, B. Hay, S. Vuković, 2012 .

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

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

Conformational analysis of N -benzylformamide

D. Dixon, Rubicelia Vargas, J. Garza, 2001 .

Thermolysis of adenosylcobalamin: a product, kinetic, and Co-C5' bond dissociation energy study

B. Hay, R. Finke, 1984 .

Thermolysis of the cobalt-carbon bond in adenosylcorrins. 3. Quantification of the axial base effect in adenosylcobalamin by the synthesis and thermolysis of axial base-free adenosylcobinamide. Insights into the energetics of enzyme-assisted cobalt-carbon bond homolysis

B. Hay, R. Finke, 1987 .

Thermolysis of the CoC bond in adenosylcobalamin (coenzyme B12)—IV. Products, kinetics and CoC bond dissociation energy studies in ethylene glycol

B. Hay, R. Finke, 1988 .

Thermolysis of the cobalt-carbon bond of adenosylcobalamin. 2. Products, kinetics, and cobalt-carbon bond dissociation energy in aqueous solution

B. Hay, R. Finke, 1986 .

Cage effects in organotransition metal chemistry: their importance in the kinetic estimation of bond dissociation energies in solution

B. Hay, R. Finke, T. Koenig, 1988 .

On the Metal Ion Selectivity of Oxoacid Extractants

G. Cote, A. Chagnes, B. Hay, 2013 .

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.

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.

Estimating the number of bound waters in Gd(III) complexes revisited. Improved methods for the prediction of q-values.

K. Raymond, B. Hay, E. Werner, 2004, Bioconjugate chemistry.

Substituent Effects in CH Hydrogen Bond Interactions: Linear Free Energy Relationships and Influence of Anions.

L. Zakharov, M. Haley, Darren W. Johnson, 2015, Journal of the American Chemical Society.

Shapes of sulfur, oxygen, and nitrogen mustards.

B. Hay, Janos Nadas, Xiaohua Zhang, 2011, The journal of physical chemistry. A.

A case for molecular recognition in nuclear separations: sulfate separation from nuclear wastes.

B. Moyer, J. Sessler, R. Custelcean, 2013, Inorganic chemistry.

Molecular statics calculations for iron oxide and oxyhydroxide minerals: Toward a flexible model of the reactive mineral-water interface

J. Rustad, B. Hay, A. Felmy, 1996 .

Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution

J. W. Halley, J. Rustad, B. Hay, 1995 .

Synthesis of a hydrophilic naphthalimidedioxime.

B. Hay, S. Kang, Christopher D. Grant, 2013, The Journal of organic chemistry.

Urea-functionalized M4L6 cage receptors: anion-templated self-assembly and selective guest exchange in aqueous solutions.

Nathan C. Duncan, P. Bonnesen, R. Custelcean, 2012, Journal of the American Chemical Society.

Computer-aided design of a sulfate-encapsulating receptor.

P. Bonnesen, R. Custelcean, V. Kertész, 2009, Angewandte Chemie.

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

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

Anion−π Interactions in Crystal Structures: Commonplace or Extraordinary?

R. Custelcean, B. Hay, 2009 .

Conformational Analysis of N,N,N‘,N‘-Tetramethylsuccinamide: The Role of C−H···O Hydrogen Bonds

J. Garza, B. Hay, Rubicelia Vargas and, 2000 .

Coordination of Lanthanide Nitrates with N,N,N',N'-Tetramethylsuccinamide.

B. Rapko, G. Lumetta, R. Rogers, 1999, Inorganic chemistry.

Solution phase measurement of both weak sigma and C-H...X- hydrogen bonding interactions in synthetic anion receptors.

Orion B. Berryman, J. Meisner, Darren W. Johnson, 2008, Journal of the American Chemical Society.

Influence of linker structure on the anion binding affinity of biscyclopeptides

B. Hay, S. Kubik, Carsten Reyheller, 2007 .

De novo structure-based design of ion-pair triple-stranded helicates.

R. Custelcean, B. Hay, Chuandong Jia, 2014, Inorganic chemistry.

Ewald methods for polarizable surfaces with application to hydroxylation and hydrogen bonding on the (012) and (001) surfaces of α-Fe2O3

J. W. Halley, E. Wasserman, J. Rustad, 1997, cond-mat/9704070.

Capture and metathesis-based release of potassium salts by a multitopic ion receptor.

B. Moyer, J. Sessler, B. Hay, 2013, Chemical communications.

KF and CsF recognition and extraction by a calix[4]crown-5 strapped calix[4]pyrrole multitopic receptor.

B. Moyer, V. Lynch, J. Sessler, 2012, Journal of the American Chemical Society.

Conformational Analysis of Malonamide, N,N'-Dimethylmalonamide, and N,N,N',N'-Tetramethylmalonamide

D. Dixon, B. Hay, G. Sandrone, 1999 .

Structural criteria for the rational design of selective ligands. 3. Quantitative structure-stability relationship for iron(III) complexation by tris-catecholamide siderophores.

J. Garza, K. Raymond, B. Hay, 2001, Inorganic chemistry.

Molecular statics calculations of proton binding to goethite surfaces: A new approach to estimation of stability constants for multisite surface complexation models

J. Rustad, B. Hay, A. Felmy, 1996 .

Conformations of Organophosphine Oxides.

M. Gordon, T. Windus, F. Zahariev, 2015, The journal of physical chemistry. A.

Computer-aided design of host molecules for recognition of organic guests

B. Hay, Chuandong Jia, Janos Nadas, 2014 .

De novo structure-based design of bis-amidoxime uranophiles.

B. Hay, S. Vuković, 2013, Inorganic chemistry.

Highly soluble tris-hydroxypyridonate Gd(III) complexes with increased hydration number, fast water exchange, slow electronic relaxation, and high relaxivity.

M. Botta, S. Aime, K. Raymond, 2007, Journal of the American Chemical Society.

To Cooperate or Not: The Role of Central Functionality in Bisthiourea [6]polynorbornane Hosts

F. Pfeffer, B. Hay, R. Robson, 2019, European Journal of Organic Chemistry.

Hydrogen-Bonded Helices for Anion Binding and Separation

D. Jiang, R. Custelcean, B. Gu, 2008 .

Structural aspects of cesium ion selectivity by tetrabenzo-24-crown-8

R. Sachleben, J. Bryan, B. Hay, 1999 .

Synthesis and selected lanthanide coordination chemistry of new ((1H-pyrazol-1-yl)methyl)pyridine and -pyridine 1-oxide ligands

R. Paine, D. Dickie, B. Hay, 2015 .

Synthesis and Selected Reactivity Studies of a Dissymmetric (Phosphinoylmethylpyridine N-Oxide) Methylamine Platform

R. Paine, D. Dickie, B. Hay, 2014 .

Synthesis and Properties of New (Phosphinoylmethyl)Pyridine N-Oxides †‡

R. Paine, L. Delmau, D. Dickie, 2013 .

Why the addition of neutral oxygen donor groups promotes selectivity for larger metal ions

J. Rustad, B. Hay, 1996 .

Synthesis and lanthanide coordination chemistry of CMPO-decorated dibenzothiophene and dibenzothiophene sulfone platforms

R. Paine, L. Delmau, D. Dickie, 2015 .

Quantifying the binding strength of U(VI) with phthalimidedioxime in comparison with glutarimidedioxime.

L. Rao, Chao Xu, B. Hay, 2014, Dalton transactions.

How amidoximate binds the uranyl cation.

R. Custelcean, B. Hay, S. Vuković, 2012, Inorganic chemistry.

Structural aspects of metal–amide complexes

B. Rapko, O. Clement, B. Hay, 1998 .

Controlling cesium cation recognition via cation metathesis within an ion pair receptor.

B. Moyer, L. Delmau, V. Lynch, 2012, Journal of the American Chemical Society.

A calix[4]arene strapped calix[4]pyrrole: an ion-pair receptor displaying three different cesium cation recognition modes.

L. Delmau, V. Lynch, J. Sessler, 2010, Journal of the American Chemical Society.

Kinetics of the reversible .beta.-scission of the cyclopentyloxy radical

B. Hay, A. Beckwith, 1989 .

Methods for molecular mechanics modeling of coordination compounds

B. Hay, 1993 .

Conformational analysis of crown ethers—part 2. 15-crown-5

J. Rustad, B. Hay, M. Paulsen, 1997 .

Synthesis, selected coordination chemistry and extraction behavior of a (phosphinoylmethyl)pyridyl N-oxide-functionalized ligand based upon a 1,4-diazepane platform

R. Paine, L. Delmau, D. Dickie, 2015 .

Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.

J. Phillips, A. Clark, D. Curran, 2016, The Journal of organic chemistry.

Design criteria for polyazine extractants to separate An(III) from Ln(III.).

B. Hay, Janos Nadas, L. Watson, 2013, Inorganic chemistry.

Computer-Aided Design of Organic Host Architectures for Selective Chemosensors

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

Toward the computer-aided design of metal ion sequestering agents

B. Rapko, G. Lumetta, J. Hutchison, 2004 .

Octaazacryptand Complexation of the Fluoride Ion

G. K. Khalsa, J. Brainard, D. Ford, 1995 .

The role of donor group orientation as a factor in metal ion recognition by ligands

B. Hay, 2001 .

Structural Criteria for the Rational Design of Selective Ligands. 2. Effect of Alkyl Substitution on Metal Ion Complex Stability with Ligands Bearing Ethylene-Bridged Ether Donors.

J. Rustad, B. Hay, Delong Zhang, 1996, Inorganic chemistry.

Structural Criteria for the Rational Design of Selective Ligands:Extension of the MM3 Force Field to Aliphatic Ether Complexes of the Alkali and Alkaline Earth Cations

J. Rustad, B. Hay, 1994 .

Stepwise encapsulation of sulfate ions by ferrocenyl-functionalized tripodal hexaurea receptors.

Biao Wu, Minrui Li, B. Hay, 2013, Chemistry.

Synthesis of N-(alkyloxy)pyridine-2(1H)-thiones: alkylations of the ambident nucleophile pyridine-2(1H)-thione N-oxide and attempted isomerizations of 2-(alkylthio)pyridine N-oxide

B. Hay, A. Beckwith, 1989 .

Generation of alkoxy radicals from N-alkoxypyridinethiones

B. Hay, A. Beckwith, 1988 .

Kinetics and mechanism of the exo cyclizations of .omega.-formylalkyl radicals

B. Hay, A. Beckwith, 1989 .

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 .

Synthesis and f-element ligation properties of NCMPO-decorated pyridine N-oxide platforms.

R. Paine, L. Delmau, D. Dickie, 2014, Dalton transactions.

Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.

R. Paine, L. Delmau, D. Dickie, 2014, Inorganic chemistry.

Synthesis and coordination chemistry of phosphine oxide decorated dibenzofuran platforms.

R. Paine, B. Scott, L. Delmau, 2012, Inorganic chemistry.

Performance of the Effective Core Potentials of Ca, Hg, and Pb in Complexes with Ligands Containing N and O Donor Atoms.

J. Garza, B. Hay, R. Vargas, 2006, Journal of chemical theory and computation.

Synthesis, lanthanide coordination chemistry, and liquid-liquid extraction performance of CMPO-decorated pyridine and pyridine N-oxide platforms.

R. Paine, L. Delmau, D. Dickie, 2013, Inorganic chemistry.

Synthesis of propionamide pyridine and pyridine N-oxide ligands

R. Paine, B. Rapko, B. Hay, 2007 .

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.

Structural design criteria for anion hosts: strategies for achieving anion shape recognition through the complementary placement of urea donor groups.

Bruce A Moyer, B. Moyer, B. Hay, 2005, Journal of the American Chemical Society.

A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups.

B. Moyer, R. Custelcean, B. Hay, 2005, Chemical communications.

Bipyrrole-strapped calix[4]pyrroles: strong anion receptors that extract the sulfate anion.

B. Moyer, N. Williams, V. Lynch, 2014, Journal of the American Chemical Society.

Search for improved host architectures: application of de novo structure-based design and high-throughput screening methods to identify optimal building blocks for multidentate ethers.

J. Uddin, A. Oliferenko, B. Hay, 2005, Journal of the American Chemical Society.

HostDesigner: a program for the de novo structure-based design of molecular receptors with binding sites that complement metal ion guests.

B. Hay, Benjamin P Hay, Timothy K Firman, 2002, Inorganic chemistry.

Molecular Pincers Using a Combination of N-H and C-H Donors for Anion Binding

B. Hay, S. K. Kim, S. H. Kim, 2022, International journal of molecular sciences.

Pyrrole- and Naphthobipyrrole-Strapped Calix[4]pyrroles as Azide Anion Receptors.

V. Lynch, J. Sessler, B. Hay, 2018, The Journal of organic chemistry.

Aliphatic C-H...anion hydrogen bonds: weak contacts or strong interactions?

B. Hay, Lee Pedzisa, 2009, The Journal of organic chemistry.

Benzene-, pyrrole-, and furan-containing diametrically strapped calix[4]pyrroles--an experimental and theoretical study of hydrogen-bonding effects in chloride anion recognition.

Chang-Hee Lee, Jonathan L Sessler, Vincent M Lynch, 2008, Angewandte Chemie.

Oxoanion recognition by benzene-based tripodal pyrrolic receptors

V. Lynch, J. Park, J. Sessler, 2012 .

Supramolecular organization of calix[4]pyrrole with a methyl-trialkylammonium anion exchanger leads to remarkable reversal of selectivity for sulfate extraction vs. nitrate.

Christopher J. Borman, B. Moyer, J. Sessler, 2011, Chemical communications.

d-orbital effects on stereochemical non-rigidity: twisted Ti(IV) intramolecular dynamics.

K. Raymond, B. Hay, T. K. Firman, 2006, Journal of the American Chemical Society.

Structural criteria for the rational design of selective ligands: convergent hydrogen bonding sites for the nitrate anion.

B. Moyer, D. Dixon, J. Garza, 2004, Journal of the American Chemical Society.

Crystallographic evidence for oxygen acceptor directionality in oxyanion hydrogen bonds.

B. Moyer, D. Dixon, J. Bryan, 2002, Journal of the American Chemical Society.

Flexible “Arms” and Anion Recognition

F. Pfeffer, B. Hay, R. Robson, 2017 .

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.

Structural Aspects of Hydrogen Bonding with Nitrate and Sulfate

G. Lumetta, D. Dixon, J. Garza, 2004 .

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.

Crystal Structure Evidence for the Directionality of Lone Pair−π interactions: Fact or Fiction?

B. Hay, Chuandong Jia, Haohao Miao, 2019, Crystal Growth & Design.

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

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

Thermodynamic, kinetic, and structural factors in the synthesis of imine-linked dynamic covalent frameworks

Nathan C. Duncan, E. Hagaman, R. Custelcean, 2012 .

Selective Media for Actinide Collection and Pre-Concentration: Results of FY 2006 Studies

Lanee A. Snow, G. Lumetta, M. G. Warner, 2006 .

Predicting stability constants for uranyl complexes using density functional theory.

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

Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles† †Electronic supplementary information (ESI) available: Synthetic details, NMR spectroscopic data, calculation data for modeling, and X-ray crystal data for 1·(ethyl acetate)3, 1·CHCl3·(EtOH)2, 1·TEAF·(CH2Cl2)3, 1·CsF·

V. Lynch, J. Sessler, B. Hay, 2014, Chemical science.

Synthesis and extraction studies of 1,2- and 1,3-disubstituted butylcalix[4]arene amides with oxyions; geometric and conformational effects

G. Lumetta, D. Roundhill, B. Hay, 1998 .

Deliberate design of ligand architecture yields dramatic enhancement of metal ion affinity.

B. Rapko, G. Lumetta, J. Hutchison, 2002, Journal of the American Chemical Society.

Alkyl chlorides as hydrogen bond acceptors

B. Hay, S. Vuković, Janos Nadas, 2012 .

Calix[4]pyrrole-Based Molecular Capsule: Dihydrogen Phosphate-Promoted 1:2 Fluoride Anion Complexation.

Hao Li, V. Lynch, J. Sessler, 2022, Journal of the American Chemical Society.

Anisole as an Ambidentate Ligand: Ab Initio Molecular Orbital Study of Alkali Metal Cations Binding to Anisole

J. Nicholas, B. Hay, 1999 .

Architectural Design Criteria for F-Block Metal Ion Sequestering Agents

R. Paine, B. Rapko, G. Lumetta, 1999 .

Synthesis and lanthanide coordination chemistry of trifluoromethyl derivatives of phosphinoylmethyl pyridine N-oxides.

R. Paine, M. McIlwain, B. Hay, 2009, Dalton transactions.

Synthesis and coordination properties of trifluoromethyl decorated derivatives of 2,6-bis[(diphenylphosphinoyl)methyl]pyridine N-oxide ligands with lanthanide ions.

R. Paine, M. McIlwain, B. Hay, 2009, Inorganic chemistry.

The synthesis and lanthanide coordination chemistry of 2,6-bis[(dicyclohexyl)phosphino-methyl]pyridine N,P,P′-trioxide: The crystal structure of 2,6-bis[(dicyclohexyl)phosphinomethyl] pyridine N,P,P′-trioxide erbium(III) nitrate

R. Paine, B. Rapko, B. Hay, 2005 .

Unexpected chelation interaction for 2-hydroxy-2-(1-oxy-pyridin-2-yl)- N,N -diphenyl acetamide with La(III)

R. Paine, L. Zakharov, A. Rheingold, 2009 .

Ab Initio Molecular Orbital Study of Cation-pi Binding Between the Alkali-Metal Cations and Benzene

David A. Dixon, John B. Nicholas, Benjamin P. Hay, 1999 .

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

B. Hay, V. Bryantsev, 2008 .

Novel Binding Modes in Tetramethoxycalix[4]arene: Implications for Ligand Design

D. Feller, B. Hay, A. J. Nicholas, 2000 .

Solution behavior and complete proton and carbon-13 NMR assignments of the coenzyme B12 derivative (5'-deoxyadenosyl)cobinamide using modern 2D NMR experiments, including 600 MHz proton NMR data

L. Marzilli, B. Hay, P. Yohannes, 1989 .

A Novel Bicyclic Diamide with High Binding Affinity for Trivalent f‐Block Elements

B. Rapko, G. Lumetta, J. Hutchison, 2003 .

Dideoxygenated calix[4]arene crown-6 ethers enhanced selectivity for caesium over potassium and rubidium

B. Moyer, R. Sachleben, T. J. Haverlock, 1999 .

Tribenzo-18-crown-6 acetonitrile disolvate.

R. Sachleben, N. Engle, J. Bryan, 2001, Acta crystallographica. Section C, Crystal structure communications.

Eight-coordinate stereochemistries of U(IV) catecholate and aquo complexes ☆

J. Uddin, B. Hay, T. K. Firman, 2004 .

Uranyl nitrate complex extraction into TBP/dodecane organic solutions: a molecular dynamics study.

B. Hay, B. Khomami, Xianggui Ye, 2010, Physical chemistry chemical physics : PCCP.

Bicyclic and acyclic diamides: comparison of their aqueous phase binding constants with Nd(III), Am(III), Pu(IV), Np(V), Pu(VI), and U(VI).

B. Rapko, G. Lumetta, J. Hutchison, 2004, Inorganic chemistry.

Architectural Design Criteria for f-Block Metal Ion Sequestering Agents Final Report

R. Paine, B. Rapko, G. Lumetta, 2000 .

Computational Design of Metal Ion Sequestering Agents

B. Rapko, B. Hay, 2000 .

Conformational analysis of crown ethers. Part 1. 12-Crown-4

J. Rustad, B. Hay, D. Wester, 1995 .

Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels

David A. Dixon, Jorge Garza, Rubicelia Vargas, 2002 .

A molecular dynamics study of solvated orthosilicic acid and orthosilicate anion using parameterized potentials

J. Rustad, B. Hay, 1995 .

Strength of the N-HiiiO=C and C-HiiiO=C Bonds in Formamide and N-Methylacetamide Dimers

Harry A. Stern, Richard A. Friesner, David A. Dixon, 2001 .

Cesium Recognition by Supramolecular Assemblies of 2-Benzylphenol and 2-Benzylphenolate

J. Nicholas, B. Moyer, L. Delmau, 1999 .

Solution and structural investigations of ligand preorganization in trivalent lanthanide complexes of bicyclic malonamides.

B. Rapko, J. Hutchison, R. Rogers, 2006, Inorganic chemistry.

Synergistic Solvent Extraction of Alkaline Earth Cations by Mixtures of Di-n-octylphosphoric Acid and Stereoisomers of Dicyclohexano-18-crown-6

V. Huber, M. Dietz, R. Chiarizia, 1999 .

Generation of alkoxyl radicals from O-alkyl benzenesulphenates

B. Hay, A. Beckwith, Geoffrey M. Williams, 1989 .

Science to Support DOE Site Cleanup: The Pacific Northwest National Laboratory Environmental Management Science Program Awards -- Fiscal Year 2002 Mid-Year Progress Report

M. S. Greenwood, F. Brockman, Yali Su, 2002 .

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

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

Corynebactin and a serine trilactone based analogue: chirality and molecular modeling of ferric complexes.

K. Raymond, B. Hay, Sanggoo S Kim, 2002, Inorganic chemistry.

Contaminant Organic Complexes: Their Structure and Energetics in Surface Decontamination Processes

S. Traina, B. Hay, C. Ainsworth, 1999 .

Conformational analysis of crown ethers. Part 3. Alkali and alkaline earth cation complexes of 15-crown-5

B. Hay, M. Paulsen, 1998 .

An extended molecular mechanics (MM3(96)) force field for benzocrown ethers, calixarenes, and spherands

E. Wasserman, J. Rustad, B. Hay, 1997 .

Molecular dynamics simulation of tri-n-butyl-phosphate liquid: a force field comparative study.

B. Hay, B. Khomami, Xianggui Ye, 2012, The journal of physical chemistry. B.

Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-7(1)(a).

Matthew C. Davis, R. Sachleben, J. Burns, 1998, Inorganic chemistry.

Molecular Recognition by Cesium Tetrabenzo-24-Crown-8

J. Bryan, B. Hay, 2001 .

Role of the uranyl oxo group as a hydrogen bond acceptor.

B. Hay, L. Watson, 2011, Inorganic chemistry.

Extension of molecular mechanics to high-coordinate metal complexes. Calculation of the structures of aqua and nitrato complexes of lanthanide(III) metal ions

B. Hay, 1991 .

An extended MM3(96) force field for complexes of the group 1A and 2A cations with ligands bearing conjugated ether donor groups

N. L. Allinger, J. Lii, B. Hay, 1998 .

Design, synthesis, and structure of novel cesium receptors

P. Bonnesen, R. Sachleben, J. Bryan, 2003 .

Computer-Aided Design of Interpenetrated Tetrahydrofuran-Functionalized 3D Covalent Organic Frameworks for CO2 Capture

D. Jiang, R. Custelcean, R. Babarao, 2012 .

Structural Design Principles for Self‐Assembled Coordination Polygons and Polyhedra

B. Hay, N. J. Young, 2013 .

Thermolysis of the Co - C Bond of Adenosylcobalamin. Part 2. Products, Kinetics, and Co - C Bond Dissociation Energy in Aqueous Solution.

B. Hay, R. Finke, 1986 .

A MOLECULAR MECHANICS (MM3(96)) FORCE FIELD FOR METAL-AMIDE COMPLEXES

O. Clement, D. Dixon, B. Hay, 1998 .

Benzene-, pyrrole-, and furan-containing diametrically strapped calix[4]pyrroles--an experimental and theoretical study of hydrogen-bonding effects in chloride anion recognition.

V. Lynch, J. Sessler, B. Hay, 2008, Angewandte Chemie.

Urea-functionalized M4L6 cage receptors: anion-templated self-assembly and selective guest exchange in aqueous solutions.

Nathan C. Duncan, P. Bonnesen, R. Custelcean, 2012, Journal of the American Chemical Society.