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List of works by Lawrence R. Pratt

A statistical method for identifying transition states in high dimensional problems

Ab initio molecular dynamics and quasichemical study of H+(aq)

scientific article

Aggregation of Alkyllithiums in Tetrahydrofuran

An analysis of molecular packing and chemical association in liquid water using quasichemical theory

scientific article published in June 2006

Balancing local order and long-ranged interactions in the molecular theory of liquid water

scientific article published in October 2007

Beryllium displacement of H+ from strong hydrogen bonds

scientific article published on 01 January 2007

Cavities in molecular liquids and the theory of hydrophobic solubilities

scientific article

Comment on "Study on the liquid-vapor interface of water. I. Simulation results of thermodynamic properties and orientational structure".

scientific article published in May 1989

Communication: Direct observation of a hydrophobic bond in loop closure of a capped (-OCH2CH2-)n oligomer in water

scientific article published on 01 December 2010

Comparison of single-ion molecular dynamics in common solvents

scientific article published on 01 June 2018

Comparison of the structure of harmonic aqueous glasses and liquid water

scientific article published in November 1987

Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains. ⬇️

scientific article published on December 2014

Contrasting nonaqueous against aqueous solvation on the basis of scaled-particle theory

scientific article published on 17 July 2007

Deblurred observation of the molecular structure of an oil-water interface

scientific article published on 01 March 2005

Design principles for K selectivity in membrane transport

Dielectric saturation of liquid propylene carbonate in electrical energy storage applications

scientific article published in January 2010

Distribution of binding energies of a water molecule in the water liquid-vapor interface

scientific article published on 01 April 2009

Effect of PEG End-Group Hydrophobicity on Lysozyme Interactions in Solution Characterized by Light Scattering

scientific article published on 19 October 2011

Erratum: "Interfaces of propylene carbonate" [J. Chem. Phys. 138, 114708 (2013)]

scientific article published on 01 June 2015

Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes

scientific article published on 21 May 2021

Free Energies of Hydrated Halide Anions: High throughput Computations on Clusters to Treat Rough Energy-Landscapes

preprints

Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics

scientific article published on 23 October 2003

Generalizations of the Fuoss approximation for ion pairing

scientific article published on 01 February 2011

Hydration and mobility of HO-(aq)

scientific article

Hydration of Kr(aq) in Dilute and Concentrated Solutions

scientific article published on 28 October 2014

Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory

scientific article

Hydration structure and free energy of biomolecularly specific aqueous dications, including Zn2+ and first transition row metals

scientific article published on 01 February 2004

Hydrophilic Interactions Dominate the Inverse Temperature Dependence of Polypeptide Hydration Free Energies Attributed to Hydrophobicity

scientific article published on 10 November 2020

Hydrophobic effects and modeling of biophysical aqueous solution interfaces.

scientific article

Interaction of a sodium ion with the water liquid-vapor interface.

scientific article published in January 1989

Interfaces of propylene carbonate

scientific article published on 01 March 2013

Ion selectivity from local configurations of ligands in solutions and ion channels.

scientific article published on January 2010

Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water

scientific article published on 21 August 2014

Lower bound on the ground-state energies of atoms and molecules by variational quantum Monte Carlo methods

scientific article published on 01 November 1989

Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors

scientific article published on 03 May 2018

Molecular dynamics of a dilute solution of hydrogen in palladium

scientific article published on 01 June 1989

Molecular simulation of electric double-layer capacitors based on carbon nanotube forests

scientific article published on 01 September 2009

Molecular theory of hydrophobic effects: "She is too mean to have her name repeated.".

scientific article published on 01 January 2002

Molecular-Scale Description of SPAN80 Desorption from a Squalane-Water Interface

scientific article published on 7 December 2017

Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive and endothermic.

scientific article published on 02 December 2013

Multiscale theory in the molecular simulation of electrolyte solutions

scientific article

Non-van der Waals treatment of the hydrophobic solubilities of CF4.

scientific article published on 28 July 2007

Origin of Entropy Convergence in Hydrophobic Hydration and Protein Folding

scientific article published in Physical Review Letters

Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol

scientific article published on 01 November 2012

Perspectives on: ion selectivity: design principles for K+ selectivity in membrane transport.

scientific article

Quasi-chemical study of Be2+(aq) speciation

scientific article published in April 2003

Quasi-chemical theory of F-(aq): The "no split occupancies rule" revisited

scientific article published in October 2017

Quasichemical theory with a soft cutoff

scientific article published on 01 February 2009

Reduction of diffusion broadening in flow by analysis of time-gated single-molecule data

scientific article

Relation between the local field at large distances from a charge or dipole and the dielectric constant.

scientific article

Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects

scientific article published on 31 May 2018

Role of attractive methane-water interactions in the potential of mean force between methane molecules in water

scientific article

Role of fluctuations in a snug-fit mechanism of KcsA channel selectivity

scientific article published on 01 July 2006

Self-consistent molecular field theory for packing in classical liquids ⬇️

scientific article published on August 20, 2003

Structures and aggregation states of fluoromethyllithium and chloromethyllithium carbenoids in the gas phase and in ethereal solvent

scientific article published in November 2002

Surface potential of the water liquid-vapor interface

scientific article published in March 1988

Temperature dependence of the solubility of non-polar gases in water

scientific article published on 01 April 1999

The hydration state of HO−(aq)

scientific article published in October 2003

The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins.

scientific article

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