| Year |
Citation |
Score |
| 2023 |
Dhabal D, Molinero V. Kinetics and Mechanisms of Pressure-Induced Ice Amorphization and Polyamorphic Transitions in a Machine-Learned Coarse-Grained Water Model. The Journal of Physical Chemistry. B. 127: 2847-2862. PMID 36920450 DOI: 10.1021/acs.jpcb.3c00434 |
0.398 |
|
| 2022 |
Dhabal D, Sankaranarayanan SKRS, Molinero V. Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions. The Journal of Physical Chemistry. B. PMID 36383428 DOI: 10.1021/acs.jpcb.2c06246 |
0.402 |
|
| 2021 |
Metya AK, Molinero V. Is Ice Nucleation by Organic Crystals Nonclassical? An Assessment of the Monolayer Hypothesis of Ice Nucleation. Journal of the American Chemical Society. PMID 33729789 DOI: 10.1021/jacs.0c12012 |
0.31 |
|
| 2020 |
Naullage PM, Molinero V. Slow Propagation of Ice Binding Limits the Ice-Recrystallization Inhibition Efficiency of PVA and Other Flexible Polymers. Journal of the American Chemical Society. PMID 32050760 DOI: 10.1021/Jacs.9B12943 |
0.335 |
|
| 2019 |
Moberg DR, Becker D, Dierking CW, Zurheide F, Bandow B, Buck U, Hudait A, Molinero V, Paesani F, Zeuch T. The end of ice I. Proceedings of the National Academy of Sciences of the United States of America. PMID 31685641 DOI: 10.1073/Pnas.1914254116 |
0.497 |
|
| 2019 |
Factorovich MH, Naullage PM, Molinero V. Can clathrates heterogeneously nucleate ice? The Journal of Chemical Physics. 151: 114707. PMID 31542043 DOI: 10.1063/1.5119823 |
0.422 |
|
| 2019 |
Perez Sirkin YA, Gadea ED, Scherlis DA, Molinero V. Mechanisms of Nucleation and Stationary States of Electrochemically Generated Nanobubbles. Journal of the American Chemical Society. PMID 31190533 DOI: 10.1021/Jacs.9B04479 |
0.344 |
|
| 2019 |
Marriott M, Lupi L, Kumar A, Molinero V. Following the nucleation pathway from disordered liquid to gyroid mesophase. The Journal of Chemical Physics. 150: 164902. PMID 31042878 DOI: 10.1063/1.5081850 |
0.406 |
|
| 2019 |
Hudait A, Qiu Y, Odendahl N, Molinero V. Hydrogen-Bonding and Hydrophobic Groups Contribute Equally to the Binding of Hyperactive Antifreeze and Ice Nucleating Proteins to Ice. Journal of the American Chemical Society. PMID 31020830 DOI: 10.1021/Jacs.9B02248 |
0.356 |
|
| 2019 |
Qiu Y, Hudait A, Molinero V. How Do Size and Aggregation of Ice-binding Proteins Control their Ice Nucleation Efficiency. Journal of the American Chemical Society. PMID 30977366 DOI: 10.1021/Jacs.9B01854 |
0.347 |
|
| 2019 |
David RO, Marcolli C, Fahrni J, Qiu Y, Perez Sirkin YA, Molinero V, Mahrt F, Brühwiler D, Lohmann U, Kanji ZA. Pore condensation and freezing is responsible for ice formation below water saturation for porous particles. Proceedings of the National Academy of Sciences of the United States of America. PMID 30948638 DOI: 10.1073/Pnas.1813647116 |
0.464 |
|
| 2019 |
Naullage PM, Bertolazzo AA, Molinero V. How Do Surfactants Control the Agglomeration of Clathrate Hydrates? Acs Central Science. 5: 428-439. PMID 30937370 DOI: 10.1021/Acscentsci.8B00755 |
0.421 |
|
| 2019 |
Lu J, Barnett A, Molinero V. Effect of Polymer Architecture on the Nanophase Segregation, Ionic Conductivity, and Electro-Osmotic Drag of Anion Exchange Membranes The Journal of Physical Chemistry C. 123: 8717-8726. DOI: 10.1021/Acs.Jpcc.9B01165 |
0.431 |
|
| 2018 |
Dong D, Zhang W, Barnett A, Lu J, Van Duin ACT, Molinero V, Bedrov D. Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations. Polymers. 10. PMID 30961214 DOI: 10.3390/Polym10111289 |
0.427 |
|
| 2018 |
DeMott PJ, Mason RH, McCluskey CS, Hill TCJ, Perkins RJ, Desyaterik Y, Bertram AK, Trueblood JV, Grassian VH, Qiu Y, Molinero V, Tobo Y, Sultana CM, Lee C, Prather KA. Ice nucleation by particles containing long-chain fatty acids of relevance to freezing by sea spray aerosols. Environmental Science. Processes & Impacts. PMID 30382263 DOI: 10.1039/C8Em00386F |
0.354 |
|
| 2018 |
Kumar A, Nguyen AH, Okumu R, Shepherd TD, Molinero V. Could Mesophases Play a Role in the Nucleation and Polymorph Selection of Zeolites? Journal of the American Chemical Society. PMID 30379074 DOI: 10.1021/Jacs.8B06664 |
0.451 |
|
| 2018 |
Kumar A, Molinero V. Two-Step to One-Step Nucleation of a Zeolite through a Metastable Gyroid Mesophase. The Journal of Physical Chemistry Letters. PMID 30196700 DOI: 10.1021/Acs.Jpclett.8B02413 |
0.431 |
|
| 2018 |
Qiu Y, Molinero V. Why Is It So Difficult to Identify the Onset of Ice Premelting? The Journal of Physical Chemistry Letters. PMID 30149705 DOI: 10.1021/Acs.Jpclett.8B02244 |
0.389 |
|
| 2018 |
Kastelowitz N, Molinero V. Ice-Liquid Oscillations in Nanoconfined Water. Acs Nano. PMID 30024723 DOI: 10.1021/Acsnano.8B03403 |
0.495 |
|
| 2018 |
Hudait A, Moberg DR, Qiu Y, Odendahl N, Paesani F, Molinero V. Preordering of water is not needed for ice recognition by hyperactive antifreeze proteins. Proceedings of the National Academy of Sciences of the United States of America. PMID 29987018 DOI: 10.1073/Pnas.1806996115 |
0.394 |
|
| 2018 |
Bertolazzo AA, Naullage PM, Peters B, Molinero V. The Clathrate-Water Interface Is Oleophilic. The Journal of Physical Chemistry Letters. PMID 29812945 DOI: 10.1021/Acs.Jpclett.8B01210 |
0.47 |
|
| 2018 |
Kumar A, Molinero V. Why Is Gyroid More Difficult to Nucleate from Disordered Liquids Than Lamellar and Hexagonal Mesophases? The Journal of Physical Chemistry. B. PMID 29620902 DOI: 10.1021/Acs.Jpcb.8B02381 |
0.45 |
|
| 2018 |
Hudait A, Odendahl N, Qiu Y, Paesani F, Molinero V. Ice-Nucleating and Antifreeze Proteins Recognize Ice Through a Diversity of Anchored Clathrate and Ice-Like Motifs. Journal of the American Chemical Society. PMID 29564892 DOI: 10.1021/Jacs.8B01246 |
0.332 |
|
| 2018 |
Naullage PM, Qiu Y, Molinero V. What Controls the Limit of Supercooling and Superheating of Pinned Ice Surfaces? The Journal of Physical Chemistry Letters. PMID 29544050 DOI: 10.1021/Acs.Jpclett.8B00300 |
0.38 |
|
| 2018 |
Mochizuki K, Molinero V. Antifreeze glycoproteins bind reversibly to ice via hydrophobic groups. Journal of the American Chemical Society. PMID 29392937 DOI: 10.1021/Jacs.7B13630 |
0.332 |
|
| 2018 |
Qiu Y, Lupi L, Molinero V. Is Water at the Graphite Interface Vapor-Like or Ice-Like? The Journal of Physical Chemistry. B. PMID 29298058 DOI: 10.1021/Acs.Jpcb.7B11476 |
0.492 |
|
| 2018 |
Kumar A, Zare M, Molinero V. Assembly of Zeolitic Crystals From a Model of Mesogenic Patchy Nanoparticles The Journal of Physical Chemistry C. 123: 971-978. DOI: 10.1021/Acs.Jpcc.8B11929 |
0.382 |
|
| 2017 |
Lupi L, Hudait A, Peters B, Grünwald M, Gotchy Mullen R, Nguyen AH, Molinero V. Role of stacking disorder in ice nucleation. Nature. 551: 218-222. PMID 29120424 DOI: 10.1038/Nature24279 |
0.406 |
|
| 2017 |
Poon GG, Lemke T, Peter C, Molinero V, Peters B. Oligomeric Nucleants: Simulations of Chain Length, Binding Strength, and Volume Fraction Effects. The Journal of Physical Chemistry Letters. PMID 29116791 DOI: 10.1021/Acs.Jpclett.7B02651 |
0.367 |
|
| 2017 |
Mochizuki K, Qiu Y, Molinero V. Promotion of Homogeneous Ice Nucleation by Soluble Molecules. Journal of the American Chemical Society. PMID 29111694 DOI: 10.1021/Jacs.7B09549 |
0.449 |
|
| 2017 |
Lupi L, Hanscam R, Qiu Y, Molinero V. Reaction Coordinate for Ice Crystallization on a Soft Surface. The Journal of Physical Chemistry Letters. PMID 28823159 DOI: 10.1021/Acs.Jpclett.7B01855 |
0.435 |
|
| 2017 |
Hudait A, Allen MT, Molinero V. Sink or swim: ions and organics at the ice-air interface. Journal of the American Chemical Society. PMID 28658949 DOI: 10.1021/Jacs.7B05233 |
0.395 |
|
| 2017 |
Lu J, Miller C, Molinero V. Parameterization of a coarse-grained model with short-ranged interactions for modeling fuel cell membranes with controlled water uptake. Physical Chemistry Chemical Physics : Pccp. PMID 28653074 DOI: 10.1039/C7Cp02281F |
0.484 |
|
| 2017 |
Perez Sirkin YA, Factorovich MH, Molinero V, Scherlis DA. Stability and Vapor Pressure of Aqueous Aggregates and Aerosols Containing a Monovalent Ion. The Journal of Physical Chemistry. A. PMID 28282149 DOI: 10.1021/Acs.Jpca.7B00642 |
0.413 |
|
| 2017 |
Song B, Charest N, Alexander Morriss-Andrews H, Molinero V, Shea JE. Systematic derivation of implicit solvent models for the study of polymer collapse. Journal of Computational Chemistry. PMID 28236312 DOI: 10.1002/Jcc.24754 |
0.446 |
|
| 2017 |
Qiu Y, Odendahl N, Hudait A, Mason RH, Bertram AK, Paesani F, DeMott PJ, Molinero V. Ice nucleation efficiency of hydroxylated organic surfaces is controlled by their structural fluctuations and mismatch to ice. Journal of the American Chemical Society. PMID 28135412 DOI: 10.1021/Jacs.6B12210 |
0.391 |
|
| 2017 |
Lu J, Jacobson LC, Perez Sirkin YA, Molinero V. High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials. Journal of Chemical Theory and Computation. 13: 245-264. PMID 28068769 DOI: 10.1021/Acs.Jctc.6B00874 |
0.793 |
|
| 2017 |
Naullage PM, Lupi L, Molinero V. Molecular Recognition of Ice by Fully Flexible Molecules The Journal of Physical Chemistry C. 121: 26949-26957. DOI: 10.1021/Acs.Jpcc.7B10265 |
0.341 |
|
| 2016 |
Dhabal D, Chakravarty C, Molinero V, Kashyap HK. Comparison of liquid-state anomalies in Stillinger-Weber models of water, silicon, and germanium. The Journal of Chemical Physics. 145: 214502. PMID 28799375 DOI: 10.1063/1.4967939 |
0.443 |
|
| 2016 |
Lupi L, Peters B, Molinero V. Pre-ordering of interfacial water in the pathway of heterogeneous ice nucleation does not lead to a two-step crystallization mechanism. The Journal of Chemical Physics. 145: 211910. PMID 28799353 DOI: 10.1063/1.4961652 |
0.473 |
|
| 2016 |
Hudait A, Molinero V. What determines the ice polymorph in clouds? Journal of the American Chemical Society. PMID 27355985 DOI: 10.1021/Jacs.6B05227 |
0.416 |
|
| 2016 |
Lu J, Chakravarty C, Molinero V. Relationship between the line of density anomaly and the lines of melting, crystallization, cavitation, and liquid spinodal in coarse-grained water models. The Journal of Chemical Physics. 144: 234507. PMID 27334179 DOI: 10.1063/1.4953854 |
0.527 |
|
| 2016 |
Perez Sirkin YA, Factorovich MH, Molinero V, Scherlis DA. Vapor pressure of aqueous solutions of electrolytes reproduced with coarse-grained models without electrostatics. Journal of Chemical Theory and Computation. PMID 27196963 DOI: 10.1021/Acs.Jctc.6B00291 |
0.421 |
|
| 2016 |
Cisneros GA, Wikfeldt KT, Ojamäe L, Lu J, Xu Y, Torabifard H, Bartók AP, Csányi G, Molinero V, Paesani F. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions. Chemical Reviews. PMID 27186804 DOI: 10.1021/Acs.Chemrev.5B00644 |
0.401 |
|
| 2016 |
Hudait A, Qiu S, Lupi L, Molinero V. Free energy contributions and structural characterization of stacking disordered ices. Physical Chemistry Chemical Physics : Pccp. PMID 26983558 DOI: 10.1039/C6Cp00915H |
0.418 |
|
| 2015 |
Dhabal D, Nguyen AH, Singh M, Khatua P, Molinero V, Bandyopadhyay S, Chakravarty C. Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids. The Journal of Chemical Physics. 143: 164512. PMID 26520532 DOI: 10.1063/1.4933420 |
0.43 |
|
| 2015 |
Bertolazzo AA, Kumar A, Chakravarty C, Molinero V. Water-like Anomalies and Phase Behavior of a Pair Potential that Stabilizes Diamond. The Journal of Physical Chemistry. B. PMID 26426477 DOI: 10.1021/Acs.Jpcb.5B08432 |
0.514 |
|
| 2015 |
Factorovich MH, Molinero V, Scherlis DA. Hydrogen-Bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces. Journal of the American Chemical Society. PMID 26241823 DOI: 10.1021/Jacs.5B05242 |
0.393 |
|
| 2015 |
Qiu Y, Molinero V. Morphology of Liquid-Liquid Phase Separated Aerosols. Journal of the American Chemical Society. PMID 26230969 DOI: 10.1021/Jacs.5B05579 |
0.408 |
|
| 2015 |
Nguyen AH, Molinero V. Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: the CHILL+ Algorithm. The Journal of Physical Chemistry. B. 119: 9369-76. PMID 25389702 DOI: 10.1021/Jp510289T |
0.452 |
|
| 2015 |
Malkin TL, Murray BJ, Salzmann CG, Molinero V, Pickering SJ, Whale TF. Stacking disorder in ice I. Physical Chemistry Chemical Physics : Pccp. 17: 60-76. PMID 25380218 DOI: 10.1039/C4Cp02893G |
0.363 |
|
| 2015 |
Nguyen AH, Koc MA, Shepherd TD, Molinero V. Structure of the ice-clathrate interface Journal of Physical Chemistry C. 119: 4104-4117. DOI: 10.1021/Jp511749Q |
0.447 |
|
| 2015 |
Nguyen AH, Molinero V. Identification of Clathrate Hydrates, Hexagonal Ice, Cubic Ice, and Liquid Water in Simulations: The CHILL+ Algorithm Journal of Physical Chemistry B. 119: 9369-9376. DOI: 10.1021/jp510289t |
0.317 |
|
| 2014 |
Lu J, Qiu Y, Baron R, Molinero V. Coarse-Graining of TIP4P/2005, TIP4P-Ew, SPC/E, and TIP3P to Monatomic Anisotropic Water Models Using Relative Entropy Minimization. Journal of Chemical Theory and Computation. 10: 4104-20. PMID 26588552 DOI: 10.1021/Ct500487H |
0.508 |
|
| 2014 |
Lupi L, Kastelowitz N, Molinero V. Vapor deposition of water on graphitic surfaces: formation of amorphous ice, bilayer ice, ice I, and liquid water. The Journal of Chemical Physics. 141: 18C508. PMID 25399173 DOI: 10.1063/1.4895543 |
0.422 |
|
| 2014 |
Molinero V, Kay BD. Preface: special topic on interfacial and confined water. The Journal of Chemical Physics. 141: 18C101. PMID 25399165 DOI: 10.1063/1.4900822 |
0.41 |
|
| 2014 |
Hudait A, Molinero V. Ice crystallization in ultrafine water-salt aerosols: nucleation, ice-solution equilibrium, and internal structure. Journal of the American Chemical Society. 136: 8081-93. PMID 24820354 DOI: 10.1021/Ja503311R |
0.499 |
|
| 2014 |
Singh M, Dhabal D, Nguyen AH, Molinero V, Chakravarty C. Triplet correlations dominate the transition from simple to tetrahedral liquids. Physical Review Letters. 112: 147801. PMID 24766016 DOI: 10.1103/Physrevlett.112.147801 |
0.359 |
|
| 2014 |
Jacobson LC, Kirby RM, Molinero V. How short is too short for the interactions of a water potential? Exploring the parameter space of a coarse-grained water model using uncertainty quantification. The Journal of Physical Chemistry. B. 118: 8190-202. PMID 24605768 DOI: 10.1021/Jp5012928 |
0.787 |
|
| 2014 |
Nguyen AH, Molinero V. Cross-nucleation between clathrate hydrate polymorphs: assessing the role of stability, growth rate, and structure matching. The Journal of Chemical Physics. 140: 084506. PMID 24588184 DOI: 10.1063/1.4866143 |
0.375 |
|
| 2014 |
Factorovich MH, Molinero V, Scherlis DA. Vapor pressure of water nanodroplets. Journal of the American Chemical Society. 136: 4508-14. PMID 24580542 DOI: 10.1021/Ja405408N |
0.361 |
|
| 2014 |
Lupi L, Molinero V. Does hydrophilicity of carbon particles improve their ice nucleation ability? The Journal of Physical Chemistry. A. 118: 7330-7. PMID 24533525 DOI: 10.1021/Jp4118375 |
0.403 |
|
| 2014 |
Factorovich MH, Molinero V, Scherlis DA. A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems. The Journal of Chemical Physics. 140: 064111. PMID 24527904 DOI: 10.1063/1.4865137 |
0.402 |
|
| 2014 |
Lupi L, Hudait A, Molinero V. Heterogeneous nucleation of ice on carbon surfaces. Journal of the American Chemical Society. 136: 3156-64. PMID 24495074 DOI: 10.1021/Ja411507A |
0.429 |
|
| 2014 |
Molinero V, Kay BD. Preface: Special topic on interfacial and confined water Journal of Chemical Physics. 141. DOI: 10.1063/1.4900822 |
0.335 |
|
| 2014 |
Lupi L, Kastelowitz N, Molinero V. Vapor deposition of water on graphitic surfaces: Formation of amorphous ice, bilayer ice, ice I, and liquid water Journal of Chemical Physics. 141. DOI: 10.1063/1.4895543 |
0.325 |
|
| 2014 |
Song B, Nguyen AH, Molinero V. Can guest occupancy in binary Clathrate hydrates be tuned through control of the growth temperature? Journal of Physical Chemistry C. 118: 23022-23031. DOI: 10.1021/Jp504852K |
0.456 |
|
| 2014 |
Factorovich MH, Gonzalez Solveyra E, Molinero V, Scherlis DA. Sorption isotherms of water in nanopores: Relationship between hydropohobicity, adsorption pressure, and hysteresis Journal of Physical Chemistry C. 118: 16290-16300. DOI: 10.1021/Jp5000396 |
0.415 |
|
| 2014 |
Jacobson LC, Ren X, Molinero V. Assessing the effects of crowding, pore size, and interactions on electro-osmotic drag coefficients Journal of Physical Chemistry C. 118: 2093-2103. DOI: 10.1021/Jp410910R |
0.776 |
|
| 2014 |
Hudait A, Molinero V. Ice crystallization in ultrafine water-salt aerosols: Nucleation, ice-solution equilibrium, and internal structure Journal of the American Chemical Society. 136: 8081-8093. DOI: 10.1021/ja503311r |
0.352 |
|
| 2013 |
Bullock G, Molinero V. Low-density liquid water is the mother of ice: On the relation between mesostructure, thermodynamics and ice crystallization in solutions Faraday Discussions. 167: 371-388. PMID 24640501 DOI: 10.1039/C3Fd00085K |
0.506 |
|
| 2013 |
Song B, Molinero V. Thermodynamic and structural signatures of water-driven methane-methane attraction in coarse-grained mW water Journal of Chemical Physics. 139. PMID 23927274 DOI: 10.1063/1.4816005 |
0.52 |
|
| 2013 |
Holten V, Limmer DT, Molinero V, Anisimov MA. Nature of the anomalies in the supercooled liquid state of the mW model of water. The Journal of Chemical Physics. 138: 174501. PMID 23656138 DOI: 10.1063/1.4802992 |
0.474 |
|
| 2013 |
Nguyen AH, Molinero V. Stability and metastability of bromine clathrate polymorphs. The Journal of Physical Chemistry. B. 117: 6330-8. PMID 23638835 DOI: 10.1021/Jp403503D |
0.49 |
|
| 2013 |
Molinero V. What determines the homogeneous freezing temperature of water? Aip Conference Proceedings. 1527: 83-88. DOI: 10.1063/1.4803209 |
0.3 |
|
| 2013 |
Solveyra EG, De La Llave E, Molinero V, Soler-Illia GJAA, Scherlis DA. Structure, dynamics, and phase behavior of water in TiO2 nanopores Journal of Physical Chemistry C. 117: 3330-3342. DOI: 10.1021/Jp307900Q |
0.453 |
|
| 2013 |
Molinero V. 038 What determines the temperature of ice crystallization? Cryobiology. 67: 409. DOI: 10.1016/J.Cryobiol.2013.09.044 |
0.488 |
|
| 2012 |
Baron R, Molinero V. Water-Driven Cavity-Ligand Binding: Comparison of Thermodynamic Signatures from Coarse-Grained and Atomic-Level Simulations. Journal of Chemical Theory and Computation. 8: 3696-704. PMID 26593014 DOI: 10.1021/Ct300121R |
0.465 |
|
| 2012 |
Knott BC, Molinero V, Doherty MF, Peters B. Homogeneous nucleation of methane hydrates: unrealistic under realistic conditions. Journal of the American Chemical Society. 134: 19544-7. PMID 23148735 DOI: 10.1021/Ja309117D |
0.369 |
|
| 2012 |
Jabes BS, Nayar D, Dhabal D, Molinero V, Chakravarty C. Water and other tetrahedral liquids: order, anomalies and solvation. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 284116. PMID 22739063 DOI: 10.1088/0953-8984/24/28/284116 |
0.522 |
|
| 2012 |
Johnston JC, Molinero V. Crystallization, melting, and structure of water nanoparticles at atmospherically relevant temperatures. Journal of the American Chemical Society. 134: 6650-9. PMID 22452637 DOI: 10.1021/Ja210878C |
0.455 |
|
| 2012 |
Shadrack Jabes B, Nayar D, Dhabal D, Molinero V, Chakravarty C. Water and other tetrahedral liquids: Order, anomalies and solvation Journal of Physics Condensed Matter. 24. DOI: 10.1088/0953-8984/24/28/284116 |
0.355 |
|
| 2012 |
Nguyen AH, Jacobson LC, Molinero V. Structure of the clathrate/solution interface and mechanism of cross-nucleation of clathrate hydrates Journal of Physical Chemistry C. 116: 19828-19838. DOI: 10.1021/Jp305468S |
0.788 |
|
| 2012 |
Shepherd TD, Koc MA, Molinero V. The quasi-liquid layer of ice under conditions of methane clathrate formation Journal of Physical Chemistry C. 116: 12172-12180. DOI: 10.1021/Jp303605T |
0.396 |
|
| 2012 |
Moore EB, Allen JT, Molinero V. Liquid-ice coexistence below the melting temperature for water confined in hydrophilic and hydrophobic nanopores Journal of Physical Chemistry C. 116: 7507-7514. DOI: 10.1021/Jp3012409 |
0.469 |
|
| 2012 |
De La Llave E, Molinero V, Scherlis DA. Role of confinement and surface affinity on filling mechanisms and sorption hysteresis of water in nanopores Journal of Physical Chemistry C. 116: 1833-1840. DOI: 10.1021/Jp206580Z |
0.509 |
|
| 2011 |
Moore EB, Molinero V. Structural transformation in supercooled water controls the crystallization rate of ice. Nature. 479: 506-8. PMID 22113691 DOI: 10.1038/Nature10586 |
0.545 |
|
| 2011 |
Moore EB, Molinero V. Is it cubic? Ice crystallization from deeply supercooled water. Physical Chemistry Chemical Physics : Pccp. 13: 20008-16. PMID 22009135 DOI: 10.1039/C1Cp22022E |
0.428 |
|
| 2011 |
Xu L, Molinero V. Is there a liquid-liquid transition in confined water? The Journal of Physical Chemistry. B. 115: 14210-6. PMID 21923129 DOI: 10.1021/Jp205045K |
0.527 |
|
| 2011 |
Solveyra EG, de la Llave E, Scherlis DA, Molinero V. Melting and crystallization of ice in partially filled nanopores. The Journal of Physical Chemistry. B. 115: 14196-204. PMID 21863824 DOI: 10.1021/Jp205008W |
0.476 |
|
| 2011 |
Jacobson LC, Matsumoto M, Molinero V. Order parameters for the multistep crystallization of clathrate hydrates. The Journal of Chemical Physics. 135: 074501. PMID 21861570 DOI: 10.1063/1.3613667 |
0.774 |
|
| 2011 |
Jacobson LC, Molinero V. Can amorphous nuclei grow crystalline clathrates? The size and crystallinity of critical clathrate nuclei. Journal of the American Chemical Society. 133: 6458-63. PMID 21466207 DOI: 10.1021/Ja201403Q |
0.782 |
|
| 2011 |
Winkel K, Seidl M, Loerting T, Bove LE, Imberti S, Molinero V, Bruni F, Mancinelli R, Ricci MA. Structural study of low concentration LiCl aqueous solutions in the liquid, supercooled, and hyperquenched glassy states. The Journal of Chemical Physics. 134: 024515. PMID 21241128 DOI: 10.1063/1.3528000 |
0.431 |
|
| 2011 |
Le L, Molinero V. Nanophase segregation in supercooled aqueous solutions and their glasses driven by the polyamorphism of water. The Journal of Physical Chemistry. A. 115: 5900-7. PMID 21166394 DOI: 10.1021/Jp1102065 |
0.482 |
|
| 2011 |
DeMille RC, Cheatham TE, Molinero V. A coarse-grained model of DNA with explicit solvation by water and ions. The Journal of Physical Chemistry. B. 115: 132-42. PMID 21155552 DOI: 10.1021/Jp107028N |
0.385 |
|
| 2011 |
Moore EB, Molinero V. Is it cubic? Ice crystallization from deeply supercooled water Physical Chemistry Chemical Physics. 13: 20008-20016. DOI: 10.1039/c1cp22022e |
0.395 |
|
| 2011 |
Moore EB, Molinero V. Structural transformation in supercooled water controls the crystallization rate of ice Nature. 479: 506-508. DOI: 10.1038/nature10586 |
0.354 |
|
| 2011 |
Johnston JC, Phippen S, Molinero V. A single-component silicon quasicrystal Journal of Physical Chemistry Letters. 2: 384-388. DOI: 10.1021/Jz101706K |
0.435 |
|
| 2011 |
Xu L, Molinero V. Is there a liquid-liquid transition in confined water? Journal of Physical Chemistry B. 115: 14210-14216. DOI: 10.1021/jp205045k |
0.306 |
|
| 2011 |
Hujo W, Jabes BS, Rana VK, Chakravarty C, Molinero V. The Rise and Fall of Anomalies in Tetrahedral Liquids Journal of Statistical Physics. 145: 293-312. DOI: 10.1007/S10955-011-0293-9 |
0.347 |
|
| 2010 |
Johnston JC, Kastelowitz N, Molinero V. Liquid to quasicrystal transition in bilayer water. The Journal of Chemical Physics. 133: 154516. PMID 20969412 DOI: 10.1063/1.3499323 |
0.528 |
|
| 2010 |
Jacobson LC, Hujo W, Molinero V. Nucleation pathways of clathrate hydrates: effect of guest size and solubility. The Journal of Physical Chemistry. B. 114: 13796-807. PMID 20931990 DOI: 10.1021/Jp107269Q |
0.805 |
|
| 2010 |
Jacobson LC, Hujo W, Molinero V. Amorphous precursors in the nucleation of clathrate hydrates. Journal of the American Chemical Society. 132: 11806-11. PMID 20669949 DOI: 10.1021/Ja1051445 |
0.797 |
|
| 2010 |
de la Llave E, Molinero V, Scherlis DA. Water filling of hydrophilic nanopores. The Journal of Chemical Physics. 133: 034513. PMID 20649343 DOI: 10.1063/1.3462964 |
0.478 |
|
| 2010 |
Moore EB, Molinero V. Ice crystallization in water's "no-man's land". The Journal of Chemical Physics. 132: 244504. PMID 20590203 DOI: 10.1063/1.3451112 |
0.536 |
|
| 2010 |
Jacobson LC, Molinero V. A methane-water model for coarse-grained simulations of solutions and clathrate hydrates. The Journal of Physical Chemistry. B. 114: 7302-11. PMID 20462253 DOI: 10.1021/Jp1013576 |
0.817 |
|
| 2010 |
Xu L, Molinero V. Liquid-vapor oscillations of water nanoconfined between hydrophobic disks: thermodynamics and kinetics. The Journal of Physical Chemistry. B. 114: 7320-8. PMID 20446704 DOI: 10.1021/Jp102443M |
0.467 |
|
| 2010 |
Moore EB, de la Llave E, Welke K, Scherlis DA, Molinero V. Freezing, melting and structure of ice in a hydrophilic nanopore. Physical Chemistry Chemical Physics : Pccp. 12: 4124-34. PMID 20379503 DOI: 10.1039/B919724A |
0.489 |
|
| 2010 |
Kastelowitz N, Johnston JC, Molinero V. The anomalously high melting temperature of bilayer ice. The Journal of Chemical Physics. 132: 124511. PMID 20370137 DOI: 10.1063/1.3368793 |
0.45 |
|
| 2010 |
De La Llave E, Molinero V, Scherlis DA. Water filling of hydrophilic nanopores Journal of Chemical Physics. 133. DOI: 10.1063/1.3462964 |
0.342 |
|
| 2010 |
Moore EB, Molinero V. Ice crystallization in water's "no-man's land" Journal of Chemical Physics. 132. DOI: 10.1063/1.3451112 |
0.325 |
|
| 2010 |
Xu L, Molinero V. Liquid-vapor oscillations of water nanoconfined between hydrophobic disks: Thermodynamics and kinetics Journal of Physical Chemistry B. 114: 7320-7328. DOI: 10.1021/jp102443m |
0.353 |
|
| 2009 |
Demille RC, Molinero V. Coarse-grained ions without charges: Reproducing the solvation structure of NaCl in water using short-ranged potentials Journal of Chemical Physics. 131. PMID 19624181 DOI: 10.1063/1.3170982 |
0.462 |
|
| 2009 |
Jacobson LC, Hujo W, Molinero V. Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water. The Journal of Physical Chemistry. B. 113: 10298-307. PMID 19585976 DOI: 10.1021/Jp903439A |
0.82 |
|
| 2009 |
Moore EB, Molinero V. Growing correlation length in supercooled water. The Journal of Chemical Physics. 130: 244505. PMID 19566164 DOI: 10.1063/1.3158470 |
0.442 |
|
| 2009 |
Molinero V, Moore EB. Water modeled as an intermediate element between carbon and silicon. The Journal of Physical Chemistry. B. 113: 4008-16. PMID 18956896 DOI: 10.1021/Jp805227C |
0.501 |
|
| 2009 |
Moore EB, Molinero V. Growing correlation length in supercooled water Journal of Chemical Physics. 130. DOI: 10.1063/1.3158470 |
0.311 |
|
| 2007 |
Bhat MH, Molinero V, Soignard E, Solomon VC, Sastry S, Yarger JL, Angell CA. Vitrification of a monatomic metallic liquid. Nature. 448: 787-90. PMID 17700696 DOI: 10.1038/Nature06044 |
0.409 |
|
| 2006 |
Molinero V, Sastry S, Angell CA. Tuning of tetrahedrality in a silicon potential yields a series of monatomic (metal-like) glass formers of very high fragility. Physical Review Letters. 97: 075701. PMID 17026248 DOI: 10.1103/Physrevlett.97.075701 |
0.384 |
|
| 2006 |
Goddard W, Merinov B, Van Duin A, Jacob T, Blanco M, Molinero V, Jang SS, Jang YH. Multi-paradigm multi-scale simulations for fuel cell catalysts and membranes Molecular Simulation. 32: 251-268. DOI: 10.1080/08927020600599709 |
0.63 |
|
| 2005 |
Jang SS, Lin ST, Cagin T, Molinero V, Goddard WA. Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Fréchet polyaryl ethereal dendrimer and linear PTFE. The Journal of Physical Chemistry. B. 109: 10154-67. PMID 16852231 DOI: 10.1021/Jp050125W |
0.758 |
|
| 2005 |
Molinero V, Goddard WA. Microscopic mechanism of water diffusion in glucose glasses Physical Review Letters. 95. PMID 16090821 DOI: 10.1103/Physrevlett.95.045701 |
0.519 |
|
| 2004 |
Deng WQ, Molinero V, Goddard WA. Fluorinated imidazoles as proton carriers for water-free fuel cell membranes Journal of the American Chemical Society. 126: 15644-15645. PMID 15571377 DOI: 10.1021/Ja046999Y |
0.622 |
|
| 2004 |
Jang SS, Molinero V, Çaǧin T, Goddard WA. Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence Journal of Physical Chemistry B. 108: 3149-3157. DOI: 10.1021/Jp036842C |
0.627 |
|
| 2004 |
Molinero V, Çag?n T, Goddard WA. Mechanisms of nonexponential relaxation in supercooled glucose solutions: The role of water facilitation Journal of Physical Chemistry A. 108: 3699-3712. DOI: 10.1021/Jp036680K |
0.557 |
|
| 2004 |
Molinero V, Goddard WA. M3B: A coarse grain force field for molecular simulations of malto-oligosaccharides and their water mixtures Journal of Physical Chemistry B. 108: 1414-1427. DOI: 10.1021/Jp0354752 |
0.518 |
|
| 2004 |
Jang SS, Molinero V, Çagin T, Goddard WA. Effect of monomeric sequence on nanostructure and water dynamics in Nafion 117 Solid State Ionics. 175: 805-808. DOI: 10.1016/J.Ssi.2004.08.039 |
0.709 |
|
| 2003 |
Molinero V, Çaǧin T, Goddard WA. Sugar, water and free volume networks in concentrated sucrose solutions Chemical Physics Letters. 377: 469-474. DOI: 10.1016/S0009-2614(03)01170-9 |
0.526 |
|
| 2000 |
Molinero V, Laria D, Kapral R. Dynamics of solvation-induced structural transitions in mesoscopic binary clusters Physical Review Letters. 84: 455-8. PMID 11015937 DOI: 10.1103/Physrevlett.84.455 |
0.407 |
|
| 1998 |
Molinero V, Laria D, Kapral R. Mixing and segregation in binary polar-molecule clusters Journal of Chemical Physics. 109: 6844-6853. DOI: 10.1063/1.477251 |
0.411 |
|
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