| Year |
Citation |
Score |
| 2022 |
Gomez DT, Pratt LR, Asthagiri DN, Rempe SB. Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory. Accounts of Chemical Research. PMID 35829622 DOI: 10.1021/acs.accounts.2c00078 |
0.355 |
|
| 2021 |
Asthagiri DN, Paulaitis ME, Pratt LR. Thermodynamics of Hydration from the Perspective of the Molecular Quasichemical Theory of Solutions. The Journal of Physical Chemistry. B. PMID 34313434 DOI: 10.1021/acs.jpcb.1c04182 |
0.676 |
|
| 2020 |
Tomar DS, Paulaitis ME, Pratt LR, Asthagiri DN. Hydrophilic Interactions Dominate the Inverse Temperature Dependence of Polypeptide Hydration Free Energies Attributed to Hydrophobicity. The Journal of Physical Chemistry Letters. 9965-9970. PMID 33170720 DOI: 10.1021/acs.jpclett.0c02972 |
0.806 |
|
| 2020 |
Chaudhari MI, Vanegas JM, Pratt LR, Muralidharan A, Rempe SB. Hydration Mimicry by Membrane Ion Channels. Annual Review of Physical Chemistry. PMID 32155383 DOI: 10.1146/Annurev-Physchem-012320-015457 |
0.799 |
|
| 2019 |
Muralidharan A, Pratt L, Chaudhari M, Rempe S. Quasi-chemical theory for anion hydration and specific ion effects: Cl-(aq) vs. F-(aq) Chemical Physics Letters: X. 4: 100037. DOI: 10.1016/J.CPLETX.2019.100037 |
0.767 |
|
| 2019 |
Tomar TS, Paulaitis ME, Pratt LR, Asthagiri DN. Protein-Solvent Attractive Interactions Dominate the Inverse Temperature Dependence of Polypeptide Hydration Free Energies Biophysical Journal. 116: 37a. DOI: 10.1016/J.Bpj.2018.11.246 |
0.667 |
|
| 2018 |
Muralidharan A, Pratt LR, Chaudhari MI, Rempe SB. Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F) Anion Hydration. The Journal of Physical Chemistry. A. PMID 30475612 DOI: 10.1021/Acs.Jpca.8B08474 |
0.784 |
|
| 2018 |
Muralidharan A, Chaudhari MI, Pratt LR, Rempe SB. Molecular Dynamics of Lithium Ion Transport in a Model Solid Electrolyte Interphase. Scientific Reports. 8: 10736. PMID 30013026 DOI: 10.1038/S41598-018-28869-X |
0.789 |
|
| 2018 |
Muralidharan A, Pratt LR, Chaudhari MI, Rempe SB. Comparison of single-ion molecular dynamics in common solvents. The Journal of Chemical Physics. 148: 222821. PMID 29907013 DOI: 10.1063/1.5023121 |
0.8 |
|
| 2018 |
Gao A, Tan L, Pratt LR, Chaudhari MI, Rempe SB, Asthagiri D, Weeks JD. The Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects. The Journal of Physical Chemistry. B. PMID 29767526 DOI: 10.1021/Acs.Jpcb.8B01711 |
0.807 |
|
| 2018 |
Muralidharan A, Pratt LR, Hoffman GG, Chaudhari MI, Rempe SB. Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors. Chemsuschem. PMID 29722479 DOI: 10.1002/Cssc.201800323 |
0.773 |
|
| 2018 |
Chaudhari MI, Muralidharan A, Pratt LR, Rempe SB. Assessment of Simple Models for Molecular Simulation of Ethylene Carbonate and Propylene Carbonate as Solvents for Electrolyte Solutions. Topics in Current Chemistry (Cham). 376: 7. PMID 29435669 DOI: 10.1007/S41061-018-0187-2 |
0.817 |
|
| 2017 |
Tan L, Pratt LR, Chaudhari MI. Molecular-Scale Description of SPAN80 Desorption from a Squalane-Water Interface. The Journal of Physical Chemistry. B. PMID 29215284 DOI: 10.1021/Acs.Jpcb.7B10336 |
0.765 |
|
| 2017 |
Chaudhari MI, Rempe SB, Pratt LR. Quasi-chemical theory of F(-)(aq): The "no split occupancies rule" revisited. The Journal of Chemical Physics. 147: 161728. PMID 29096480 DOI: 10.1063/1.4986244 |
0.749 |
|
| 2017 |
Pashazanusi L, Oguntoye M, Oak S, Albert JNL, Pratt LR, Pesika NS. Anomalous Potential Dependent Friction on Au(111) measured by AFM. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28976763 DOI: 10.1021/Acs.Langmuir.7B03023 |
0.348 |
|
| 2017 |
Muralidharan A, You X, Pratt L, Hoffman G. Supercapacitors Based on Carbon-Nanotube Forests Bulletin of the American Physical Society. DOI: 10.6084/M9.Figshare.3811677.V3 |
0.653 |
|
| 2017 |
Muralidharan A, Chaudhari M, Rempe S, Pratt LR. Molecular Dynamics Simulations of Lithium Ion Transport through a Model Solid Electrolyte Interphase (SEI) Layer Ecs Transactions. 77: 1155-1162. DOI: 10.1149/07711.1155ECST |
0.764 |
|
| 2017 |
Chaudhari MI, Pratt LR, Rempe SB. Utility of chemical computations in predicting solution free energies of metal ions Molecular Simulation. 44: 110-116. DOI: 10.1080/08927022.2017.1342127 |
0.77 |
|
| 2016 |
Chaudhari MI, Nair JR, Pratt LR, Soto FA, Balbuena PB, Rempe S. Scaling Atomic Partial Charges of Carbonate Solvents for Lithium ion (Li+) Solvation and Diffusion. Journal of Chemical Theory and Computation. PMID 27767309 DOI: 10.1021/Acs.Jctc.6B00824 |
0.767 |
|
| 2016 |
Pratt LR, Chaudhari MI, Rempe SB. Statistical Analyses of Hydrophobic Interactions: A Mini-Review. The Journal of Physical Chemistry. B. PMID 27258151 DOI: 10.1021/Acs.Jpcb.6B04082 |
0.75 |
|
| 2016 |
Chaudhari MI, Rempe SB, Asthagiri D, Tan L, Pratt LR. Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions. The Journal of Physical Chemistry. B. PMID 26694688 DOI: 10.1021/Acs.Jpcb.5B09552 |
0.813 |
|
| 2015 |
You X, Chaudhari MI, Rempe SB, Pratt LR. Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 26599721 DOI: 10.1021/Acs.Jpcb.5B09561 |
0.779 |
|
| 2015 |
You X, Chaudhari MI, Pratt LR, Pesika N, Aritakula KM, Rick SW. Erratum: "Interfaces of propylene carbonate" [J. Chem. Phys. 138, 114708 (2013)]. The Journal of Chemical Physics. 142: 249902. PMID 26133459 DOI: 10.1063/1.4923293 |
0.727 |
|
| 2015 |
Chaudhari MI, Pratt LR, Paulaitis ME. Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water. The Journal of Physical Chemistry. B. 119: 8863-7. PMID 25121580 DOI: 10.1021/Jp504244X |
0.766 |
|
| 2015 |
You X, Chaudhari MI, Rempe SB, Pratt LR. Dielectric properties of ethylene carbonate and propylene carbonate using molecular dynamics simulations Ecs Transactions. 69: 107-111. DOI: 10.1149/06901.0107ecst |
0.76 |
|
| 2015 |
Zhang W, Pratt LR. AIMD results for a concentrated solution of tetra-ethylammonium tetra-fluoroborate in propylene carbonate Ecs Transactions. 66: 1-5. DOI: 10.1149/06628.0001ecst |
0.316 |
|
| 2014 |
Chaudhari MI, Pratt LR, Paulaitis ME. Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains. The Journal of Chemical Physics. 141: 244908. PMID 25554181 DOI: 10.1063/1.4904386 |
0.799 |
|
| 2014 |
Chaudhari MI, Sabo D, Pratt LR, Rempe SB. Hydration of Kr(aq) in Dilute and Concentrated Solutions. The Journal of Physical Chemistry. B. PMID 25309975 DOI: 10.1021/Jp508866H |
0.744 |
|
| 2014 |
Zhang W, You X, Pratt LR. Multiscale theory in the molecular simulation of electrolyte solutions. The Journal of Physical Chemistry. B. 118: 7730-8. PMID 24383585 DOI: 10.1021/Jp410310M |
0.643 |
|
| 2014 |
Sabo D, Jiao D, Varma S, Pratt L, Rempe S. Density Functional Studies of Rubidium Hydration to Probe the Analogy Between Rb+ and K+ in K Channels Biophysical Journal. 106: 540a. DOI: 10.1016/J.Bpj.2013.11.3012 |
0.372 |
|
| 2014 |
Chaudhari MI, Pratt LR. Microstructures of Capped Ethylene Oxide Oligomers in Water and N-Hexane Oil Spill Remediation: Colloid Chemistry-Based Principles and Solutions. 247-257. DOI: 10.1002/9781118825662.ch11 |
0.696 |
|
| 2013 |
Chaudhari MI, Holleran SA, Ashbaugh HS, Pratt LR. Molecular-scale hydrophobic interactions between hard-sphere reference solutes are attractive and endothermic. Proceedings of the National Academy of Sciences of the United States of America. 110: 20557-62. PMID 24297918 DOI: 10.1073/Pnas.1312458110 |
0.803 |
|
| 2013 |
You X, Chaudhari MI, Pratt LR, Pesika N, Aritakula KM, Rick SW. Interfaces of propylene carbonate. The Journal of Chemical Physics. 138: 114708. PMID 23534654 DOI: 10.1063/1.4794792 |
0.774 |
|
| 2012 |
Zhu P, Pratt LR, Papadopoulos KD. Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol. The Journal of Chemical Physics. 137: 174501. PMID 23145733 DOI: 10.1063/1.4764296 |
0.408 |
|
| 2012 |
Pohorille A, Pratt LR. Is water the universal solvent for life? Origins of Life and Evolution of the Biosphere : the Journal of the International Society For the Study of the Origin of Life. 42: 405-9. PMID 23065397 DOI: 10.1007/S11084-012-9301-6 |
0.374 |
|
| 2012 |
Rogers DM, Jiao D, Pratt LR, Rempe SB. Structural Models and Molecular Thermodynamics of Hydration of Ions and Small Molecules Annual Reports in Computational Chemistry. 8: 71-127. DOI: 10.1016/B978-0-444-59440-2.00004-1 |
0.468 |
|
| 2011 |
Priya MH, Pratt LR, Paulaitis ME. Effect of PEG end-group hydrophobicity on lysozyme interactions in solution characterized by light scattering. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 13713-8. PMID 21958073 DOI: 10.1021/La203138K |
0.62 |
|
| 2011 |
Zhu P, You X, Pratt LR, Papadopoulos KD. Generalizations of the Fuoss approximation for ion pairing. The Journal of Chemical Physics. 134: 054502. PMID 21303133 DOI: 10.1063/1.3544680 |
0.617 |
|
| 2011 |
Weeks JD, Pratt LR. Introduction to Special Issue on Water and Associated Liquids Journal of Statistical Physics. 145: 207-208. DOI: 10.1007/S10955-011-0382-9 |
0.413 |
|
| 2010 |
Asthagiri D, Dixit PD, Merchant S, Paulaitis ME, Pratt LR, Rempe SB, Varma S. Ion selectivity from local configurations of ligands in solutions and ion channels. Chemical Physics Letters. 485: 1-7. PMID 23750043 DOI: 10.1016/J.Cplett.2009.12.013 |
0.796 |
|
| 2010 |
Chaudhari MI, Pratt LR, Paulaitis ME. Communication: Direct observation of a hydrophobic bond in loop closure of a capped (-OCH2CH2-)n oligomer in water. The Journal of Chemical Physics. 133: 231102. PMID 21186848 DOI: 10.1063/1.3521484 |
0.782 |
|
| 2010 |
Yang L, Fishbine BH, Migliori A, Pratt LR. Dielectric saturation of liquid propylene carbonate in electrical energy storage applications. The Journal of Chemical Physics. 132: 044701. PMID 20113053 DOI: 10.1063/1.3294560 |
0.428 |
|
| 2010 |
Chempath S, Boncella JM, Pratt LR, Henson N, Pivovar BS. Density functional theory study of degradation of tetraalkylammonium hydroxides Journal of Physical Chemistry C. 114: 11977-11983. DOI: 10.1021/Jp9122198 |
0.346 |
|
| 2010 |
Chempath S, Pratt LR, Paulaitis ME. Distributions of extreme contributions to binding energies of molecules in liquids Chemical Physics Letters. 487: 24-27. DOI: 10.1016/J.Cplett.2010.01.023 |
0.641 |
|
| 2010 |
Asthagiri D, Dixit PD, Merchant S, Paulaitis ME, Pratt LR, Rempe SB, Varma S. Ion selectivity from local configurations of ligands in solutions and ion channels Chemical Physics Letters. 485: 1-7. DOI: 10.1016/j.cplett.2009.12.013 |
0.773 |
|
| 2009 |
Yang L, Fishbine BH, Migliori A, Pratt LR. Molecular simulation of electric double-layer capacitors based on carbon nanotube forests. Journal of the American Chemical Society. 131: 12373-6. PMID 19655756 DOI: 10.1021/Ja9044554 |
0.393 |
|
| 2009 |
Chempath S, Pratt LR, Paulaitis ME. Quasichemical theory with a soft cutoff. The Journal of Chemical Physics. 130: 054113. PMID 19206964 DOI: 10.1063/1.3072666 |
0.654 |
|
| 2009 |
Chempath S, Pratt LR. Distribution of binding energies of a water molecule in the water liquid-vapor interface. The Journal of Physical Chemistry. B. 113: 4147-51. PMID 19006274 DOI: 10.1021/Jp806858Z |
0.434 |
|
| 2009 |
Zhu P, Harris TV, Driver MS, Campbell CB, Pratt LR, Papadopoulos KD. Dissolution kinetics of [Hmim][BF4] ionic liquid droplets in 1-pentanol Journal of Physical Chemistry C. 113: 16458-16463. DOI: 10.1021/Jp9052693 |
0.301 |
|
| 2008 |
Asthagiri D, Merchant S, Pratt LR. Role of attractive methane-water interactions in the potential of mean force between methane molecules in water. The Journal of Chemical Physics. 128: 244512. PMID 18601353 DOI: 10.1063/1.2944252 |
0.784 |
|
| 2008 |
Chempath S, Einsla BR, Pratt LR, Macomber CS, Boncella JM, Rau JA, Pivovar BS. Mechanism of tetraalkylammonium headgroup degradation in alkaline fuel cell membranes Journal of Physical Chemistry C. 112: 3179-3182. DOI: 10.1021/Jp7115577 |
0.384 |
|
| 2007 |
Shah JK, Asthagiri D, Pratt LR, Paulaitis ME. Balancing local order and long-ranged interactions in the molecular theory of liquid water. The Journal of Chemical Physics. 127: 144508. PMID 17935410 DOI: 10.1063/1.2766940 |
0.781 |
|
| 2007 |
Asthagiri D, Ashbaugh HS, Piryatinski A, Paulaitis ME, Pratt LR. Non-van der Waals treatment of the hydrophobic solubilities of CF4. Journal of the American Chemical Society. 129: 10133-40. PMID 17661465 DOI: 10.1021/Ja071037N |
0.825 |
|
| 2007 |
Ashbaugh HS, Pratt LR. Contrasting nonaqueous against aqueous solvation on the basis of scaled-particle theory. The Journal of Physical Chemistry. B. 111: 9330-6. PMID 17636979 DOI: 10.1021/Jp071969D |
0.651 |
|
| 2007 |
McCleskey TM, Ehler DS, Keizer TS, Asthagiri DN, Pratt LR, Michalczyk R, Scott BL. Beryllium displacement of H+ from strong hydrogen bonds. Angewandte Chemie (International Ed. in English). 46: 2669-71. PMID 17348063 DOI: 10.1002/Anie.200604623 |
0.596 |
|
| 2007 |
Gomez MA, Pratt LR, Kress JD, Asthagiri D. Water adsorption and dissociation on BeO(0 0 1) and (1 0 0) surfaces Surface Science. 601: 1608-1614. DOI: 10.1016/J.Susc.2007.01.033 |
0.571 |
|
| 2007 |
Pratt LR, Asthagiri D. Potential distribution methods and free energy models of molecular solutions Springer Series in Chemical Physics. 86: 323-351. DOI: 10.1007/978-3-540-38448-9_9 |
0.648 |
|
| 2006 |
Asthagiri D, Pratt LR, Paulaitis ME. Role of fluctuations in a snug-fit mechanism of KcsA channel selectivity. The Journal of Chemical Physics. 125: 24701. PMID 16848598 DOI: 10.1063/1.2205853 |
0.731 |
|
| 2006 |
Paliwal A, Asthagiri D, Pratt LR, Ashbaugh HS, Paulaitis ME. An analysis of molecular packing and chemical association in liquid water using quasichemical theory. The Journal of Chemical Physics. 124: 224502. PMID 16784293 DOI: 10.1063/1.2202350 |
0.813 |
|
| 2006 |
Ashbaugh HS, Pratt LR. Colloquium: Scaled particle theory and the length scales of hydrophobicity Reviews of Modern Physics. 78. DOI: 10.1103/Revmodphys.78.159 |
0.667 |
|
| 2006 |
Beck TL, Paulaitis ME, Pratt LR. The potential distribution theorem and models of molecular solutions The Potential Distribution Theorem and Models of Molecular Solutions. 1-230. DOI: 10.1017/CBO9780511536663 |
0.305 |
|
| 2006 |
Pratt LR. Defect structure for proton transport in a triflic acid monohydrate solid Aiche Annual Meeting, Conference Proceedings. DOI: 10.1016/S0009-2614(02)01733-5 |
0.319 |
|
| 2005 |
Asthagiri D, Pratt LR, Kress JD. Ab initio molecular dynamics and quasichemical study of H+(aq). Proceedings of the National Academy of Sciences of the United States of America. 102: 6704-8. PMID 15831590 DOI: 10.1073/Pnas.0408071102 |
0.701 |
|
| 2005 |
Ashbaugh HS, Pratt LR, Paulaitis ME, Clohecy J, Beck TL. Deblurred observation of the molecular structure of an oil-water interface. Journal of the American Chemical Society. 127: 2808-9. PMID 15740089 DOI: 10.1021/Ja042600U |
0.747 |
|
| 2004 |
Asthagiri D, Pratt LR, Kress JD, Gomez MA. Hydration and mobility of HO-(aq). Proceedings of the National Academy of Sciences of the United States of America. 101: 7229-33. PMID 15123832 DOI: 10.1073/Pnas.0401696101 |
0.771 |
|
| 2004 |
Asthagiri D, Pratt LR, Paulaitis ME, Rempe SB. Hydration structure and free energy of biomolecularly specific aqueous dications, including Zn2+ and first transition row metals. Journal of the American Chemical Society. 126: 1285-9. PMID 14746502 DOI: 10.1021/Ja0382967 |
0.776 |
|
| 2004 |
Rempe SB, Asthagiri D, Pratt LR. Inner shell definition and absolute hydration free energy of K +(aq) on the basis of quasi-chemical theory and ab initio molecular dynamics Physical Chemistry Chemical Physics. 6: 1966-1969. DOI: 10.1039/B313756B |
0.723 |
|
| 2003 |
Asthagiri D, Pratt LR, Kress JD. Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 041505. PMID 14682945 DOI: 10.1103/Physreve.68.041505 |
0.724 |
|
| 2003 |
Pratt LR, Ashbaugh HS. Self-consistent molecular field theory for packing in classical liquids. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 021505. PMID 14524979 DOI: 10.1103/Physreve.68.021505 |
0.674 |
|
| 2003 |
Ashbaugh HS, Asthagiri D, Pratt LR, Rempe SB. Hydration of krypton and consideration of clathrate models of hydrophobic effects from the perspective of quasi-chemical theory. Biophysical Chemistry. 105: 323-38. PMID 14499902 DOI: 10.1016/S0301-4622(03)00084-X |
0.803 |
|
| 2003 |
Asthagiri D, Pratt LR, Ashbaugh HS. Absolute hydration free energies of ions, ion-water clusters, and quasichemical theory Journal of Chemical Physics. 119: 2702-2708. DOI: 10.1063/1.1587122 |
0.782 |
|
| 2003 |
LaViolette RA, Copeland KL, Pratt LR. Cages of Water Coordinating Kr in Aqueous Solution Journal of Physical Chemistry A. 107: 11267-11270. DOI: 10.1021/Jp0359687 |
0.43 |
|
| 2003 |
Asthagiri D, Pratt LR. Quasi-chemical study of Be2+ (aq) speciation Chemical Physics Letters. 371: 613-619. DOI: 10.1016/S0009-2614(03)00227-6 |
0.693 |
|
| 2003 |
Asthagiri D, Pratt LR, Kress JD, Gomez MA. The hydration state of HO-(aq) Chemical Physics Letters. 380: 530-535. DOI: 10.1016/J.Cplett.2003.09.007 |
0.757 |
|
| 2003 |
Asthagiri D, Pratt LR, Kress JD. Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 68: 415051-415057. |
0.341 |
|
| 2002 |
Paulaitis ME, Pratt LR. Hydration theory for molecular biophysics. Advances in Protein Chemistry. 62: 283-310. PMID 12418107 DOI: 10.1016/S0065-3233(02)62011-X |
0.668 |
|
| 2002 |
Pratt LR. Molecular theory of hydrophobic effects: "She is too mean to have her name repeated.". Annual Review of Physical Chemistry. 53: 409-36. PMID 11972014 DOI: 10.1146/Annurev.Physchem.53.090401.093500 |
0.408 |
|
| 2002 |
Grabowski P, Riccardi D, Gomez MA, Asthagiri D, Pratt LR. Quasi-chemical theory and the standard free energy of H+(aq) Journal of Physical Chemistry A. 106: 9145-9148. DOI: 10.1021/Jp026291A |
0.621 |
|
| 2001 |
Pratt LR, Laviolette RA, Gomez MA, Gentile ME. Quasi-chemical theory for the statistical thermodynamics of the hard-sphere fluid Journal of Physical Chemistry B. 105: 11662-11668. DOI: 10.1021/Jp011525W |
0.601 |
|
| 2001 |
Rempe SB, Pratt LR. The hydration number of Na+ in liquid water Fluid Phase Equilibria. 183: 121-132. DOI: 10.1016/S0378-3812(01)00426-5 |
0.499 |
|
| 2000 |
Jorgensen BS, Dye RC, Pratt LR, Gomez MA, Meadows JE. Concentrating low-level tritiated water through isotope exchange Fusion Technology. 37: 124-130. DOI: 10.13182/Fst00-A128 |
0.339 |
|
| 2000 |
Rempe SB, Pratt LR, Hummer G, Kress JD, Martin RL, Redondo A. The hydration number of Li+ in liquid water [9] Journal of the American Chemical Society. 122: 966-967. DOI: 10.1021/Ja9924750 |
0.428 |
|
| 2000 |
Hummer G, Garde S, García AE, Pratt LR. New perspectives on hydrophobic effects Chemical Physics. 258: 349-370. DOI: 10.1016/S0301-0104(00)00115-4 |
0.324 |
|
| 1999 |
Garde S, García AE, Pratt LR, Hummer G. Temperature dependence of the solubility of non-polar gases in water. Biophysical Chemistry. 78: 21-32. PMID 17030303 DOI: 10.1016/S0301-4622(99)00018-6 |
0.429 |
|
| 1999 |
Pratt LR, Rempe SB. Quasi-chemical theory and implicit solvent models for simulations Arxiv: Chemical Physics. 492: 172-201. DOI: 10.1063/1.1301528 |
0.436 |
|
| 1999 |
Gomez MA, Pratt LR, Hummer G, Garde S. Molecular Realism in Default Models for Information Theories of Hydrophobic Effects The Journal of Physical Chemistry B. 103: 3520-3523. DOI: 10.1021/Jp990337R |
0.617 |
|
| 1998 |
Hummer G, Garde S, García AE, Paulaitis ME, Pratt LR. The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins. Proceedings of the National Academy of Sciences of the United States of America. 95: 1552-5. PMID 9465053 DOI: 10.1073/Pnas.95.4.1552 |
0.583 |
|
| 1998 |
Pratt LR, Laviolette RA. Quasi-chemical theories of associated liquids Molecular Physics. 94: 909-915. DOI: 10.1080/002689798167485 |
0.386 |
|
| 1998 |
Hummer G, Garde S, García AE, Paulaitis ME, Pratt LR. Hydrophobic Effects on a Molecular Scale The Journal of Physical Chemistry B. 102: 10469-10482. DOI: 10.1021/Jp982873+ |
0.48 |
|
| 1998 |
Hummer G, Pratt LR, García AE. Molecular theories and simulation of ions and polar molecules in water Journal of Physical Chemistry A. 102: 7885-7895. DOI: 10.1021/Jp982195R |
0.388 |
|
| 1998 |
Martin RL, Hay PJ, Pratt LR. Hydrolysis of ferric ion in water and conformational equilibrium Journal of Physical Chemistry A. 102: 3565-3573. DOI: 10.1021/Jp980229P |
0.386 |
|
| 1998 |
Hummer G, Pratt LR, García AE, Garde S, Berne BJ, Rick SW. Reply to Comment on “Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules” The Journal of Physical Chemistry B. 102: 3841-3843. DOI: 10.1021/Jp980145G |
0.378 |
|
| 1998 |
Paddison SJ, Pratt LR, Zawodzinski T, Reagor DW. Molecular modeling of trifluoromethanesulfonic acid for solvation theory Fluid Phase Equilibria. 150: 235-243. DOI: 10.1016/S0378-3812(98)00323-9 |
0.42 |
|
| 1998 |
Hummer G, Garde S, García AE, Paulaitis ME, Pratt LR. Hydrophobic effects on a molecular scale Journal of Physical Chemistry B. 102: X-10482. |
0.538 |
|
| 1997 |
Hummer G, Pratt LR, García AE. Ion sizes and finite-size corrections for ionic-solvation free energies Journal of Chemical Physics. 107: 9275-9277. DOI: 10.1063/1.475219 |
0.387 |
|
| 1997 |
Hummer G, Pratt LR, García AE, Berne BJ, Rick SW. Electrostatic potentials and free energies of solvation of polar and charged molecules Journal of Physical Chemistry B. 101: 3017-3020. DOI: 10.1021/Jp964037A |
0.412 |
|
| 1997 |
Hummer G, Pratt LR, García AE. Multistate Gaussian model for electrostatic solvation free energies Journal of the American Chemical Society. 119: 8523-8527. DOI: 10.1021/Ja971148U |
0.31 |
|
| 1997 |
Tawa GJ, Martin RL, Pratt LR. Reaction field spectral shifts with semiempirical molecular orbital theory International Journal of Quantum Chemistry. 64: 143-155. DOI: 10.1002/(Sici)1097-461X(1997)64:2<143::Aid-Qua1>3.0.Co;2-W |
0.41 |
|
| 1997 |
Pratt LR, Tawa GJ, Hummer G, García AE, Corcelli SA. Boundary integral methods for the poisson equation of continuum dielectric solvation models International Journal of Quantum Chemistry. 64: 121-141. DOI: 10.1002/(Sici)1097-461X(1997)64:1<121::Aid-Qua12>3.0.Co;2-E |
0.408 |
|
| 1996 |
Hummer G, Garde S, García AE, Pohorille A, Pratt LR. An information theory model of hydrophobic interactions. Proceedings of the National Academy of Sciences of the United States of America. 93: 8951-5. PMID 11607700 DOI: 10.1073/Pnas.93.17.8951 |
0.44 |
|
| 1996 |
Garde S, Hummer G, García AE, Paulaitis ME, Pratt LR. Origin of Entropy Convergence in Hydrophobic Hydration and Protein Folding. Physical Review Letters. 77: 4966-4968. PMID 10062679 DOI: 10.1103/Physrevlett.77.4966 |
0.65 |
|
| 1996 |
Garde S, Hummer G, García AE, Pratt LR, Paulaitis ME. Hydrophobic hydration: Inhomogeneous water structure near nonpolar molecular solutes. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 53: R4310-R4313. PMID 9964911 DOI: 10.1103/Physreve.53.R4310 |
0.669 |
|
| 1996 |
Tawa GJ, Martin RL, Pratt LR, Russo TV. Solvation free energy calculations using a continuum dielectric model for the solvent and gradient-corrected density functional theory for the solute Journal of Physical Chemistry. 100: 1515-1523. DOI: 10.1021/Jp951780E |
0.449 |
|
| 1996 |
Hummer G, Pratt LR, Garcia AE. Free energy of ionic hydration Journal of Physical Chemistry. 100: 1206-1215. DOI: 10.1021/Jp951011V |
0.396 |
|
| 1996 |
Garde S, Hummer G, García AE, Paulaitis ME, Pratt LR. Origin of entropy convergence in hydrophobic hydration and protein folding Physical Review Letters. 77: 4966-4968. |
0.623 |
|
| 1996 |
Garde S, Hummer G, García AE, Pratt LR, Paulaitis ME. Hydrophobie hydration: Inhomogeneous water structure near nonpolar molecular solutes Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 53. |
0.634 |
|
| 1995 |
Tawa GJ, Pratt LR. Theoretical calculation of the water ion product KW Journal of the American Chemical Society. 117: 1625-1628. DOI: 10.1021/Ja00110A019 |
0.446 |
|
| 1995 |
Hummer G, Pratt LR, García AE. Hydration free energy of water Journal of Physical Chemistry. 99: 14188-14194. DOI: 10.1021/J100038A062 |
0.376 |
|
| 1994 |
Hoffman GG, Pratt LR. Comparison of electron density functional models Molecular Physics. 82: 245-261. DOI: 10.1080/00268979400100184 |
0.351 |
|
| 1994 |
Pratt LR, Hummer G, Garciá AE. Ion pair potentials-of-mean-force in water Biophysical Chemistry. 51: 147-165. DOI: 10.1016/0301-4622(94)00057-3 |
0.483 |
|
| 1992 |
Pratt LR, Pohorille A. Theory of hydrophobicity: transient cavities in molecular liquids. Proceedings of the National Academy of Sciences of the United States of America. 89: 2995-9. PMID 11537863 DOI: 10.1073/Pnas.89.7.2995 |
0.404 |
|
| 1992 |
Hoffman GG, Harris RA, Pratt LR. Statistical theory of electron densities at nonzero temperatures Canadian Journal of Chemistry. 70: 478-481. DOI: 10.1139/V92-068 |
0.328 |
|
| 1992 |
Lynch DL, Rick SW, Gomez MA, Spath BW, Doll JD, Pratt LR. Spectroscopic studies of surface and subsurface hydrogen/metal systems The Journal of Chemical Physics. 97: 5177-5181. DOI: 10.1063/1.463816 |
0.665 |
|
| 1992 |
Pratt LR. Contact potentials of solution interfaces: Phase equilibrium and interfacial electric fields Journal of Physical Chemistry. 96: 25-33. DOI: 10.1021/J100180A010 |
0.392 |
|
| 1991 |
Hoffman GG, Pratt LR. Statistical theory of electron densities: multiple scattering perturbation theory Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 435: 245-255. DOI: 10.1098/Rspa.1991.0142 |
0.359 |
|
| 1990 |
Pohorille A, Pratt LR. Cavities in molecular liquids and the theory of hydrophobic solubilities. Journal of the American Chemical Society. 112: 5066-74. PMID 11540917 DOI: 10.1021/Ja00169A011 |
0.425 |
|
| 1989 |
Wilson MA, Pohorille A, Pratt LR. Comment on "Study on the liquid-vapor interface of water. I. Simulation results of thermodynamic properties and orientational structure". The Journal of Chemical Physics. 90: 5211-3. PMID 11542468 DOI: 10.1063/1.456536 |
0.425 |
|
| 1989 |
Wilson MA, Pohorille A, Pratt LR. Interaction of a sodium ion with the water liquid-vapor interface. Chemical Physics. 129: 209-12. PMID 11542383 DOI: 10.1016/0301-0104(89)80006-0 |
0.463 |
|
| 1989 |
Pratt LR, Eckert J. Molecular dynamics of a dilute solution of hydrogen in palladium. Physical Review. B, Condensed Matter. 39: 13170-13174. PMID 9948215 DOI: 10.1103/Physrevb.39.13170 |
0.326 |
|
| 1989 |
Pratt LR. Lower bound on the ground-state energies of atoms and molecules by variational quantum Monte Carlo methods. Physical Review. A. 40: 6077-6079. PMID 9901984 DOI: 10.1103/Physreva.40.6077 |
0.368 |
|
| 1988 |
Wilson MA, Pohorille A, Pratt LR. Surface potential of the water liquid-vapor interface. The Journal of Chemical Physics. 88: 3281-5. PMID 11542143 DOI: 10.1063/1.453923 |
0.38 |
|
| 1988 |
Pratt LR, Hoffman GG, Harris RA. Statistical theory of electron densities Journal of Chemical Physics. 88: 1818-1823. DOI: 10.1063/1.454105 |
0.336 |
|
| 1988 |
Hoffman GG, Pratt LR, Harris RA. Monte Carlo integration of density functional theory: Fermions in a harmonic well Chemical Physics Letters. 148: 313-316. DOI: 10.1016/0009-2614(88)87278-6 |
0.308 |
|
| 1987 |
Pohorille A, Pratt LR, LaViolette RA, Wilson MA, MacElroy RD. Comparison of the structure of harmonic aqueous glasses and liquid water. The Journal of Chemical Physics. 87: 6070-7. PMID 11542382 DOI: 10.1063/1.453481 |
0.393 |
|
| 1987 |
Wilson MA, Pohorille A, Pratt LR. Molecular dynamics of the water liquid-vapor interface. The Journal of Physical Chemistry. 91: 4873-8. PMID 11539733 DOI: 10.1021/J100303A002 |
0.413 |
|
| 1987 |
Pratt LR. Fluctuation method for calculation of elastic constants of solids The Journal of Chemical Physics. 87: 1245-1247. DOI: 10.1063/1.453305 |
0.343 |
|
| 1986 |
Pohorille A, Pratt LR. Theoretical methods for obtaining free energies of biomolecular equilibria in aqueous solutions. Methods in Enzymology. 127: 64-78. PMID 3736431 DOI: 10.1016/0076-6879(86)27007-X |
0.409 |
|
| 1986 |
Pratt LR, Chandler D. Theoretical and computational studies of hydrophobic interactions. Methods in Enzymology. 127: 48-63. PMID 3736428 DOI: 10.1016/0076-6879(86)27006-8 |
0.614 |
|
| 1986 |
Pratt LR, Owenson B, Sun Z. Molecular theory of surfactant micelles in aqueous solution Advances in Colloid and Interface Science. 26: 69-97. DOI: 10.1016/0001-8686(86)80016-1 |
0.44 |
|
| 1985 |
Pratt LR. Theory of Hydrophobic Effects Annual Review of Physical Chemistry. 36: 433-449. DOI: 10.1146/Annurev.Pc.36.100185.002245 |
0.433 |
|
| 1985 |
Wilson MA, Pohorille A, Pratt LR. Molecular dynamics test of the Brownian description of Na+ motion in water The Journal of Chemical Physics. 83: 5832-5836. DOI: 10.1063/1.449663 |
0.375 |
|
| 1985 |
Harris RA, Pratt LR. Discretized propagators, Hartree, and Hartree–Fock equations, and the Hohenberg–Kohn theorem Journal of Chemical Physics. 82: 856-859. DOI: 10.1063/1.448512 |
0.316 |
|
| 1984 |
Pohorille A, Pratt LR, Burt SK, MacElroy RD. Solution influence on biomolecular equilibria: nucleic acid base associations. Journal of Biomolecular Structure & Dynamics. 1: 1257-80. PMID 6401105 DOI: 10.1080/07391102.1984.10507516 |
0.442 |
|
| 1984 |
Wilson MA, Nicholls AL, Pratt LR. Hydrophobic interaction of amphiphilic ions with water-hydrocarbon liquid interfaces The Journal of Chemical Physics. 81: 579-580. DOI: 10.1063/1.447345 |
0.403 |
|
| 1984 |
Phillips P, LaViolette RA, Pratt LR. Multiple nucleation pathways near triple points of Ar–Kr mixtures Journal of Chemical Physics. 80: 1605-1609. DOI: 10.1063/1.446859 |
0.344 |
|
| 1984 |
Owenson B, Pratt LR. Monte Carlo calculation of the molecular structure of surfactant bilayers Journal of Physical Chemistry. 88: 6048-6052. DOI: 10.1021/J150668A062 |
0.384 |
|
| 1984 |
Owenson B, Pratt LR. Molecular statistical thermodynamics of model micellar aggregates Journal of Physical Chemistry. 88: 2905-2915. DOI: 10.1021/J150657A048 |
0.364 |
|
| 1983 |
LaViolette RA, Pratt LR. Free energy of nucleating droplets via cluster-integral series Physical Review A. 28: 2482-2490. DOI: 10.1103/Physreva.28.2482 |
0.38 |
|
| 1983 |
Nichols AL, Pratt LR. Salt effects on the surface tensions of dilute electrolyte solutions: The influence of nonzero relative solubility of the salt between the coexisting phases The Journal of Chemical Physics. 80: 6225-6233. DOI: 10.1063/1.446725 |
0.351 |
|
| 1983 |
Wilson MA, Nichols AL, Pratt LR. Theory of electrolyte solution interfaces at finite dilution The Journal of Chemical Physics. 78: 5129-5137. DOI: 10.1063/1.445382 |
0.355 |
|
| 1982 |
Nichols AL, Pratt LR. Slow decay of ion correlations parallel to an electrolyte solution surface The Journal of Chemical Physics. 77: 1070-1072. DOI: 10.1063/1.443908 |
0.355 |
|
| 1982 |
Nichols AL, Pratt LR. Theory for surface structure of dilute electrolyte solutions The Journal of Chemical Physics. 76: 3782-3791. DOI: 10.1063/1.443418 |
0.392 |
|
| 1982 |
Nichols AL, Pratt LR. Disentanglement of hydrophobic and electrostatic contributions to the film pressures of ionic surfactants Faraday Symposia of the Chemical Society. 17: 129-140. DOI: 10.1039/Fs9821700129 |
0.407 |
|
| 1981 |
Pratt LR. Connection between central force model treatment of polyatomic molecular liquids and the interaction site cluster expansion Molecular Physics. 43: 1163-1173. DOI: 10.1080/00268978100101941 |
0.321 |
|
| 1981 |
Ermak DL, Alder BJ, Pratt LR. Hard-sphere solids with one fluid component Journal of Physical Chemistry. 85: 3221-3224. DOI: 10.1021/J150622A004 |
0.304 |
|
| 1981 |
Haan SW, Pratt LR. Monte carlo study of a simple model for micelle structure Chemical Physics Letters. 79: 436-440. DOI: 10.1016/0009-2614(81)85009-9 |
0.346 |
|
| 1980 |
Pollock EL, Alder BJ, Pratt LR. Relation between the local field at large distances from a charge or dipole and the dielectric constant. Proceedings of the National Academy of Sciences of the United States of America. 77: 49-51. PMID 16592760 DOI: 10.1073/Pnas.77.1.49 |
0.306 |
|
| 1980 |
Pratt LR. Effective field of a dipole in non-polar polarizable fluids Molecular Physics. 40: 347-360. DOI: 10.1080/00268978000101531 |
0.39 |
|
| 1980 |
Pratt LR, Haan SW. Effects of periodic boundary conditions on equilibrium properties of computer simulated fluids. II. Application to simple liquids The Journal of Chemical Physics. 74: 1873-1876. DOI: 10.1063/1.441277 |
0.341 |
|
| 1980 |
Pratt LR, Haan SW. Effects of periodic boundary conditions on equilibrium properties of computer simulated fluids. I. Theory The Journal of Chemical Physics. 74: 1864-1872. DOI: 10.1063/1.441276 |
0.346 |
|
| 1980 |
Pratt LR, Chandler D. Effects of solute--solvent attractive forces on hydrophobic correlations Journal of Chemical Physics. 73: 3434-3441. DOI: 10.1063/1.440541 |
0.534 |
|
| 1980 |
Pratt LR, Chandler D. Hydrophobic solvation of nonspherical solutes Journal of Chemical Physics. 73: 3430-3433. DOI: 10.1063/1.440540 |
0.582 |
|
| 1980 |
Pratt LR, Rosenberg RO, Berne BJ, Chandler D. Comment on the structure of a simple liquid solvent near a n-butane solute molecule The Journal of Chemical Physics. 73: 1002-1003. DOI: 10.1063/1.440218 |
0.542 |
|
| 1980 |
Pratt LR, Chandler D. Effective intramolecular potentials for molecular bromine in argon. Comparison of theory with simulation Journal of Chemical Physics. 72: 4045-4048. DOI: 10.1063/1.439684 |
0.559 |
|
| 1980 |
Pratt LR, Chandler D. Hydrophobic interactions and osmotic second virial coefficients for methanol in water Journal of Solution Chemistry. 9: 1-17. DOI: 10.1007/Bf00650133 |
0.579 |
|
| 1980 |
Pratt LR, Chandler D. Hydrophobic solvation of nonspherical solutes The Journal of Chemical Physics. 73: 3430-3433. |
0.33 |
|
| 1978 |
Hsu CS, Pratt LR, Chandler D. Statistical mechanics of small chain molecules in liquids. II. Intermolecular pair correlations for liquid n‐butane Journal of Chemical Physics. 68: 4213-4217. DOI: 10.1063/1.436285 |
0.526 |
|
| 1978 |
Pratt LR, Hsu CS, Chandler D. Statistical mechanics of small chain molecules in liquids. I. Effects of liquid packing on conformational structures Journal of Chemical Physics. 68: 4202-4212. DOI: 10.1063/1.436284 |
0.552 |
|
| 1977 |
Pratt LR, Chandler D. Theory of the hydrophobic effect The Journal of Chemical Physics. 67: 3683-3704. DOI: 10.1063/1.435308 |
0.612 |
|
| 1977 |
Pratt LR, Chandler D. Interaction site cluster series for the Helmholtz free energy and variational principle for chemical equilibria and intramolecular structures Journal of Chemical Physics. 66: 147-151. DOI: 10.1063/1.433664 |
0.522 |
|
| 1976 |
Chandler D, Pratt LR. Statistical mechanics of chemical equilibria and intramolecular structures of nonrigid molecules in condensed phases Journal of Chemical Physics. 65: 2925-2940. DOI: 10.1063/1.433529 |
0.549 |
|
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