| Year |
Citation |
Score |
| 2023 |
Singsen S, Ospina-Acevedo F, Suthirakun S, Hirunsit P, Balbuena PB. Role of inorganic layers on polysulfide decomposition at sodium-metal anode surfaces for room temperature Na/S batteries. Physical Chemistry Chemical Physics : Pccp. PMID 37747693 DOI: 10.1039/d3cp03048b |
0.684 |
|
| 2023 |
Singsen S, Hirunsit P, Suthirakun S, Balbuena PB. Polysulfide cluster formation, surface reaction, and role of fluorinated additive on solid electrolyte interphase formation at sodium-metal anode for sodium-sulfur batteries. The Journal of Chemical Physics. 158: 124706. PMID 37003762 DOI: 10.1063/5.0136005 |
0.711 |
|
| 2020 |
Angarita-Gomez S, Balbuena PB. Insights into lithium ion deposition on lithium metal surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 32940313 DOI: 10.1039/D0Cp03399E |
0.36 |
|
| 2020 |
Ospina-Acevedo F, Guo N, Balbuena PB. Lithium oxidation and electrolyte decomposition at Li-metal/liquid electrolyte interfaces Journal of Materials Chemistry. 8: 17036-17055. DOI: 10.1039/D0Ta05132B |
0.362 |
|
| 2020 |
Torres AE, Ramos E, Balbuena PB. LiOH Formation from Lithium Peroxide Clusters and the Role of Iodide Additive The Journal of Physical Chemistry C. 124: 10280-10287. DOI: 10.1021/Acs.Jpcc.9B11980 |
0.326 |
|
| 2020 |
Han J, Zheng Y, Guo N, Balbuena PB. Calculated Reduction Potentials of Electrolyte Species in Lithium–Sulfur Batteries The Journal of Physical Chemistry C. 124: 20654-20670. DOI: 10.1021/Acs.Jpcc.0C04173 |
0.522 |
|
| 2020 |
Praserthdam S, Somdee S, Rittiruam M, Balbuena PB. Computational Study of the Evolution of Ni-Based Catalysts during the Dry Reforming of Methane Energy & Fuels. 34: 4855-4864. DOI: 10.1021/Acs.Energyfuels.9B04350 |
0.794 |
|
| 2020 |
Beltran SP, Cao X, Zhang J, Balbuena PB. Localized High Concentration Electrolytes for HighVoltage Lithium–Metal Batteries: Correlation between the ElectrolyteComposition and Its Reductive/Oxidative Stability Chemistry of Materials. 32: 5973-5984. DOI: 10.1021/Acs.Chemmater.0C00987 |
0.32 |
|
| 2020 |
Camacho-Forero LE, Balbuena PB. Effects of charged interfaces on electrolyte decomposition at the lithium metal anode Journal of Power Sources. 472: 228449. DOI: 10.1016/J.Jpowsour.2020.228449 |
0.332 |
|
| 2019 |
Kamphaus EP, Hight K, Dermott M, Balbuena PB. Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation. Physical Chemistry Chemical Physics : Pccp. PMID 31845699 DOI: 10.1039/C9Cp06020K |
0.337 |
|
| 2019 |
Kamphaus EP, Angarita-Gomez S, Qin X, Shao M, Engelhard MH, Mueller KT, Murugesan V, Balbuena PB. Role of inorganic surface layer on solid electrolyte interphase evolution at Li-metal anodes. Acs Applied Materials & Interfaces. PMID 31368685 DOI: 10.1021/Acsami.9B07587 |
0.337 |
|
| 2019 |
Soto FA, Bernaola-Flores R, Rodriguez-Reyes JCF, Balbuena PB, Tarazona-Vasquez F. Atomistic Simulations of the Reactivity of Acanthite Facets toward Cyanidation Journal of Physical Chemistry C. 123: 11888-11898. DOI: 10.1021/Acs.Jpcc.8B12353 |
0.406 |
|
| 2019 |
Rahmani Didar B, Balbuena PB. Reactivity of Cu and Co Nanoparticles Supported on Mo-Doped MgO Industrial & Engineering Chemistry Research. 58: 18213-18222. DOI: 10.1021/Acs.Iecr.9B03517 |
0.318 |
|
| 2019 |
Kamphaus EP, Balbuena PB. Effects of Dimethyl Disulfide Cosolvent on Li–S Battery Chemistry and Performance Chemistry of Materials. 31: 2377-2389. DOI: 10.1021/Acs.Chemmater.8B04821 |
0.331 |
|
| 2019 |
Rahmani Didar B, Balbuena PB. Methane dehydrogenation on Cu and Ni surfaces with low and moderate oxygen coverage International Journal of Quantum Chemistry. 120. DOI: 10.1002/Qua.26065 |
0.325 |
|
| 2018 |
Han J, Balbuena PB. First-principles calculations of oxidation potentials of electrolytes in lithium-sulfur batteries and their variations with changes in environment. Physical Chemistry Chemical Physics : Pccp. PMID 29964286 DOI: 10.1039/C8Cp02912A |
0.517 |
|
| 2018 |
Liu Z, Deng H, Hu W, Gao F, Zhang S, Balbuena PB, Mukherjee PP. Revealing reaction mechanisms of nanoconfined LiS: implications for lithium-sulfur batteries. Physical Chemistry Chemical Physics : Pccp. PMID 29683168 DOI: 10.1039/C8Cp01462K |
0.312 |
|
| 2018 |
Marzouk A, Ponce V, Benitez L, Soto FA, Hankins K, Seminario JM, Balbuena PB, El-Mellouhi F. Unveiling the First Nucleation and Growth Steps of Inorganic Solid Electrolyte Interphase Components The Journal of Physical Chemistry C. 122: 25858-25868. DOI: 10.1021/Acs.Jpcc.8B08398 |
0.307 |
|
| 2018 |
Tewari D, Liu Z, Balbuena PB, Mukherjee PP. Mesoscale Understanding of Lithium Electrodeposition for Intercalation Electrodes The Journal of Physical Chemistry C. 122: 21097-21107. DOI: 10.1021/Acs.Jpcc.8B03362 |
0.32 |
|
| 2018 |
Bertolini S, Balbuena PB. Buildup of the Solid Electrolyte Interphase on Lithium-Metal Anodes: Reactive Molecular Dynamics Study The Journal of Physical Chemistry C. 122: 10783-10791. DOI: 10.1021/Acs.Jpcc.8B03046 |
0.385 |
|
| 2018 |
Soto FA, Marzouk A, El-Mellouhi F, Balbuena PB. Understanding Ionic Diffusion through SEI Components for Lithium-Ion and Sodium-Ion Batteries: Insights from First-Principles Calculations Chemistry of Materials. 30: 3315-3322. DOI: 10.1021/Acs.Chemmater.8B00635 |
0.325 |
|
| 2018 |
Torres AE, Balbuena PB. Exploring the LiOH Formation Reaction Mechanism in Lithium–Air Batteries Chemistry of Materials. 30: 708-717. DOI: 10.1021/Acs.Chemmater.7B04018 |
0.319 |
|
| 2018 |
Garnica MM, Torres AE, Ramírez-Caballero GE, Balbuena PB. Exploring the acid catalyzed isomerization of phenanthrene under confinement in mordenite Microporous and Mesoporous Materials. 265: 241-249. DOI: 10.1016/J.Micromeso.2018.02.023 |
0.333 |
|
| 2018 |
Qin X, Shao M, Balbuena PB. Elucidating mechanisms of Li plating on Li anodes of lithium-based batteries Electrochimica Acta. 284: 485-494. DOI: 10.1016/J.Electacta.2018.07.159 |
0.371 |
|
| 2018 |
Praserthdam S, Balbuena PB. Evaluation of dry reforming reaction catalysts via computational screening Catalysis Today. 312: 23-34. DOI: 10.1016/J.Cattod.2018.04.017 |
0.796 |
|
| 2017 |
Rahmani Didar B, Balbuena PB. Adsorption of Carbon on Partially Oxidized Low-Index Cu Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29275634 DOI: 10.1021/Acs.Langmuir.7B03456 |
0.42 |
|
| 2017 |
Horowitz Y, Han HL, Soto FA, Ralston W, Balbuena PB, Somorjai GA. Fluoroethylene Carbonate as a Directing Agent in Amorphous Silicon Anodes - Electrolyte Interface Structure Probed by Sum Frequency Vibrational Spectroscopy and Ab-initio Molecular Dynamics. Nano Letters. PMID 29251510 DOI: 10.1021/Acs.Nanolett.7B04688 |
0.377 |
|
| 2017 |
Lin PA, Gomez-Ballesteros JL, Burgos JC, Balbuena PB, Natarajan B, Sharma R. Direct evidence of atomic-scale structural fluctuations in catalyst nanoparticles. Journal of Catalysis. 349: 149-155. PMID 28740274 DOI: 10.1016/J.Jcat.2017.03.009 |
0.69 |
|
| 2017 |
Gomez-Ballesteros JL, Balbuena PB. Structure of Supported and Unsupported Catalytic Rh Nanoparticles: Effects on Nucleation of Single-Walled Carbon Nanotubes. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28709379 DOI: 10.1021/Acs.Langmuir.7B01513 |
0.431 |
|
| 2017 |
Gomez-Ballesteros JL, Balbuena PB. Reduction of Electrolyte Components on a Coated Si Anode of Lithium-Ion Batteries. The Journal of Physical Chemistry Letters. PMID 28686447 DOI: 10.1021/Acs.Jpclett.7B01183 |
0.321 |
|
| 2017 |
Yu J, Xie LH, Li JR, Ma Y, Seminario JM, Balbuena PB. CO2 Capture and Separations Using MOFs: Computational and Experimental Studies. Chemical Reviews. PMID 28394578 DOI: 10.1021/Acs.Chemrev.6B00626 |
0.703 |
|
| 2017 |
Sharifi-Asl S, Soto FA, Nie A, Yuan Y, Asayesh-Ardakani H, Foroozan T, Yurkiv V, Song B, Mashayek F, Klie RF, Amine K, Lu J, Balbuena PB, Shahbazian-Yassar R. Facet-Dependent Thermal Instability in LiCoO2. Nano Letters. PMID 28230376 DOI: 10.1021/Acs.Nanolett.6B04502 |
0.347 |
|
| 2017 |
Chen Q, Ma Y, Song WC, Chang Z, Li JR, Zhang J, Sun HW, Balbuena PB, Bu XH. Why Porous Materials Have Selective Adsorptions: A Rational Aspect from Electrodynamics. Inorganic Chemistry. PMID 28199096 DOI: 10.1021/Acs.Inorgchem.6B02746 |
0.344 |
|
| 2017 |
Marzouk A, Soto FA, Burgos JC, Balbuena PB, El-Mellouhi F. Dynamics of the Lithiation and Sodiation of Silicon Allotropes: From the Bulk to the Surface Journal of the Electrochemical Society. 164: A1644-A1650. DOI: 10.1149/2.1351707Jes |
0.639 |
|
| 2017 |
Burgos JC, Balbuena PB, Montoya JA. Structural Dependence of the Sulfur Reduction Mechanism in Carbon-Based Cathodes for Lithium–Sulfur Batteries The Journal of Physical Chemistry C. 121: 18369-18377. DOI: 10.1021/Acs.Jpcc.7B05554 |
0.679 |
|
| 2017 |
Kamphaus EP, Balbuena PB. First-Principles Investigation of Lithium Polysulfide Structure and Behavior in Solution Journal of Physical Chemistry C. 121: 21105-21117. DOI: 10.1021/Acs.Jpcc.7B04822 |
0.328 |
|
| 2017 |
Rahmani Didar B, Balbuena PB. Growth of Carbon Nanostructures on Cu Nanocatalysts The Journal of Physical Chemistry C. 121: 7232-7239. DOI: 10.1021/Acs.Jpcc.6B12816 |
0.345 |
|
| 2017 |
Guerrero-Gutiérrez OX, Solorza-Feria O, Balbuena PB. First-principles investigation of Pd3Bi as a catalyst for the oxygen reduction reaction International Journal of Hydrogen Energy. 42: 30359-30363. DOI: 10.1016/J.Ijhydene.2017.08.154 |
0.368 |
|
| 2017 |
Bertolini S, Balbuena PB. Effect of solid electrolyte interphase on the reactivity of polysulfide over lithium-metal anode Electrochimica Acta. 258: 1320-1328. DOI: 10.1016/J.Electacta.2017.11.190 |
0.334 |
|
| 2017 |
Liu Z, Balbuena PB, Mukherjee PP. Mesoscale Evaluation of Titanium Silicide Monolayer as a Cathode Host Material in Lithium–Sulfur Batteries Jom. 69: 1532-1536. DOI: 10.1007/S11837-017-2414-7 |
0.313 |
|
| 2017 |
Praserthdam S, Balbuena PB. Performance evaluation of catalysts in the dry reforming reaction of methane via the ratings concept Reaction Kinetics, Mechanisms and Catalysis. 122: 53-68. DOI: 10.1007/S11144-017-1241-8 |
0.785 |
|
| 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 |
0.37 |
|
| 2016 |
Campos-Roldán CA, Ramos-Sanchez G, Gonzalez-Huerta RG, Vargas-Garcia JR, Balbuena PB, Alonso-Vante N. Influence of sp(3)-sp(2) Carbon Nano-Domains on Metal/Support Interaction, Catalyst Durability and Catalytic Activity for the Oxygen Reduction Reaction. Acs Applied Materials & Interfaces. PMID 27494283 DOI: 10.1021/Acsami.6B06886 |
0.722 |
|
| 2016 |
Liu Z, Bertolini S, Balbuena PB, Mukherjee PP. Li2S Film Formation on Lithium Anode Surface of Li-S batteries. Acs Applied Materials & Interfaces. PMID 26836249 DOI: 10.1021/Acsami.5B11803 |
0.393 |
|
| 2016 |
Javier A, Park Y, Balbuena P, Soriaga M. Adsorption of Hydrogen on Ultrathin Pd Films on a Pt(111) Surface: A Study by Density Functional Theory The Winnower. DOI: 10.15200/Winn.145317.73965 |
0.368 |
|
| 2016 |
Dysart AD, Burgos JC, Mistry A, Chen C, Liu Z, Hong CN, Balbuena PB, Mukherjee PP, Pol VG. Towards Next Generation Lithium-Sulfur Batteries: Non-Conventional Carbon Compartments/Sulfur Electrodes and Multi-Scale Analysis Journal of the Electrochemical Society. 163: A730-A741. DOI: 10.1149/2.0481605Jes |
0.632 |
|
| 2016 |
Ramos-Sanchez G, Soto FA, Martinez de la Hoz JM, Liu Z, Mukherjee PP, El-Mellouhi F, Seminario JM, Balbuena PB. Computational Studies of Interfacial Reactions at Anode Materials: Initial Stages of the Solid-Electrolyte-Interphase Layer Formation Journal of Electrochemical Energy Conversion and Storage. 13. DOI: 10.1115/1.4034412 |
0.666 |
|
| 2016 |
Liu Z, Balbuena PB, Mukherjee PP. Evaluating silicene as a potential cathode host to immobilize polysulfides in lithium–sulfur batteries Journal of Coordination Chemistry. 69: 2090-2105. DOI: 10.1080/00958972.2016.1184265 |
0.374 |
|
| 2016 |
Ramos-Sanchez G, Chen G, Harutyunyan AR, Balbuena PB. Theoretical and experimental investigations of the Li storage capacity in single-walled carbon nanotube bundles Rsc Advances. 6: 27260-27266. DOI: 10.1039/C5Ra27225D |
0.707 |
|
| 2016 |
Praserthdam S, Balbuena PB. Effects of oxygen coverage, catalyst size, and core composition on Pt-alloy core-shell nanoparticles for oxygen reduction reaction Catalysis Science and Technology. 6: 5168-5177. DOI: 10.1039/C5Cy02287H |
0.815 |
|
| 2016 |
Yu J, Wu Y, Balbuena PB. Response of Metal Sites toward Water Effects on Postcombustion CO2 Capture in Metal-Organic Frameworks Acs Sustainable Chemistry and Engineering. 4: 2387-2394. DOI: 10.1021/Acssuschemeng.6B00080 |
0.701 |
|
| 2016 |
Kamphaus EP, Balbuena PB. Long-Chain Polysulfide Retention at the Cathode of Li-S Batteries Journal of Physical Chemistry C. 120: 4296-4305. DOI: 10.1021/Acs.Jpcc.5B12538 |
0.388 |
|
| 2016 |
Leung K, Soto F, Hankins K, Balbuena PB, Harrison KL. Stability of Solid Electrolyte Interphase Components on Lithium Metal and Reactive Anode Material Surfaces Journal of Physical Chemistry C. 120: 6302-6313. DOI: 10.1021/Acs.Jpcc.5B11719 |
0.358 |
|
| 2016 |
Nahreen S, Praserthdam S, Perez Beltran S, Balbuena PB, Adhikari S, Gupta RB. Catalytic Upgrading of Methane to Higher Hydrocarbon in a Nonoxidative Chemical Conversion Energy and Fuels. 30: 2584-2593. DOI: 10.1021/Acs.Energyfuels.5B02583 |
0.799 |
|
| 2016 |
Forti MD, Alonso PR, Gargano PH, Balbuena PB, Rubiolo GH. A DFT study of atomic structure and adhesion at the Fe(BCC)/Fe3O4 interfaces Surface Science. 647: 55-65. DOI: 10.1016/J.Susc.2015.12.013 |
0.343 |
|
| 2016 |
Soto FA, Balbuena PB. Elucidating Oligomer-Surface and Oligomer-Oligomer Interactions at a Lithiated Silicon Surface Electrochimica Acta. 220: 312-321. DOI: 10.1016/J.Electacta.2016.10.082 |
0.377 |
|
| 2015 |
Gomez-Ballesteros JL, Burgos JC, Lin PA, Sharma R, Balbuena PB. Nanocatalyst shape and composition during nucleation of single-walled carbon nanotubes. Rsc Advances. 5: 106377-106386. PMID 26900454 DOI: 10.1039/C5Ra21877B |
0.661 |
|
| 2015 |
Gomez-Ballesteros JL, Balbuena PB. Structure and dynamics of metallic and carburized catalytic Ni nanoparticles: effects on growth of single-walled carbon nanotubes. Physical Chemistry Chemical Physics : Pccp. 17: 15056-64. PMID 25989515 DOI: 10.1039/C5Cp00835B |
0.37 |
|
| 2015 |
Ma Y, Martinez de la Hoz JM, Angarita I, Berrio-Sanchez JM, Benitez L, Seminario JM, Son SB, Lee SH, George SM, Ban C, Balbuena PB. Structure and Reactivity of Alucone-Coated Films on Si and LixSiy Surfaces. Acs Applied Materials & Interfaces. 7: 11948-55. PMID 25985821 DOI: 10.1021/Acsami.5B01917 |
0.308 |
|
| 2015 |
Ramos-Sanchez G, Praserthdam S, Godinez-Salomon F, Barker C, Moerbe M, Calderon HA, Lartundo LA, Leyva MA, Solorza-Feria O, Balbuena PB. Challenges of modelling real nanoparticles: Ni@Pt electrocatalysts for the oxygen reduction reaction. Physical Chemistry Chemical Physics : Pccp. PMID 25942590 DOI: 10.1039/C5Cp00503E |
0.806 |
|
| 2015 |
Liu Z, Hubble D, Balbuena PB, Mukherjee PP. Adsorption of insoluble polysulfides Li2S(x) (x = 1, 2) on Li2S surfaces. Physical Chemistry Chemical Physics : Pccp. 17: 9032-9. PMID 25752296 DOI: 10.1039/C4Cp06118G |
0.381 |
|
| 2015 |
Omichi K, Ramos-Sanchez G, Rao R, Pierce N, Chen G, Balbuena PB, Harutyunyan AR. Origin of Excess Irreversible Capacity in Lithium-Ion Batteries Based on Carbon Nanostructures Journal of the Electrochemical Society. 162: A2106-A2115. DOI: 10.1149/2.0591510Jes |
0.668 |
|
| 2015 |
Ma J, Habrioux A, Luo Y, Ramos-Sanchez G, Calvillo L, Granozzi G, Balbuena PB, Alonso-Vante N. Electronic interaction between platinum nanoparticles and nitrogen-doped reduced graphene oxide: effect on the oxygen reduction reaction Journal of Materials Chemistry A. 3: 11891-11904. DOI: 10.1039/C5Ta01285F |
0.68 |
|
| 2015 |
Yu J, Balbuena PB. How impurities affect CO2 capture in metal-organic frameworks modified with different functional groups Acs Sustainable Chemistry and Engineering. 3: 117-124. DOI: 10.1021/Sc500607Y |
0.708 |
|
| 2015 |
Martinez De La Hoz JM, Balbuena PB. Small-Molecule Activation Driven by Confinement Effects Acs Catalysis. 5: 215-224. DOI: 10.1021/Cs5013798 |
0.399 |
|
| 2015 |
Martinez De La Hoz JM, Soto FA, Balbuena PB. Effect of the electrolyte composition on SEI reactions at Si anodes of Li Ion batteries Journal of Physical Chemistry C. 119: 7060-7068. DOI: 10.1021/Acs.Jpcc.5B01228 |
0.398 |
|
| 2015 |
Soto FA, Ma Y, Martinez de la Hoz JM, Seminario JM, Balbuena PB. Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries Chemistry of Materials. 27: 7990-8000. DOI: 10.1021/Acs.Chemmater.5B03358 |
0.324 |
|
| 2015 |
Ann Lin P, Hussaini Z, Burgos Beltran JC, Gomez Ballesteros JL, Balbuena PB, Sharma R. Dynamic structural changes in a single catalyst particle during single walled carbon nanotube growth Microscopy and Microanalysis. 21: 571-572. DOI: 10.1017/S1431927615003657 |
0.307 |
|
| 2014 |
Picher M, Lin PA, Gomez-Ballesteros JL, Balbuena PB, Sharma R. Nucleation of graphene and its conversion to single-walled carbon nanotubes. Nano Letters. 14: 6104-8. PMID 25329750 DOI: 10.1021/Nl501977B |
0.304 |
|
| 2014 |
Javier A, Li D, Cruz J, Binamira-Soriaga E, Balbuena PB, Soriaga MP. C-H activation and metalation at electrode surfaces: 2,3-dimethyl-1,4-dihydroxybenzene on Pd(pc) and Pd(111) studied by TLE, HREELS and DFT. Dalton Transactions (Cambridge, England : 2003). 43: 14798-805. PMID 25162298 DOI: 10.1039/C4Dt02137A |
0.379 |
|
| 2014 |
Burgos JC, Balbuena PB. Engineering preferential adsorption of single-walled carbon nanotubes on functionalized ST-cut surfaces of quartz. Acs Applied Materials & Interfaces. 6: 12665-73. PMID 25026376 DOI: 10.1021/Am5026566 |
0.691 |
|
| 2014 |
Martínez de la Hoz JM, Balbuena PB. Reduction mechanisms of additives on Si anodes of Li-ion batteries. Physical Chemistry Chemical Physics : Pccp. 16: 17091-8. PMID 25005133 DOI: 10.1039/C4Cp01948B |
0.415 |
|
| 2014 |
Ramos-Sanchez G, Callejas-Tovar A, Scanlon LG, Balbuena PB. DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries. Physical Chemistry Chemical Physics : Pccp. 16: 743-52. PMID 24270502 DOI: 10.1039/C3Cp53161A |
0.687 |
|
| 2014 |
Ramos-Sanchez G, Godínez-Salomón F, Solorza-Feria O, Balbuena P. Activity and Durability of PEFCs Alloy Core-Shell Catalysts: Role of Surface Oxidation Advances in Science and Technology. 93: 31-40. DOI: 10.4028/Www.Scientific.Net/Ast.93.31 |
0.725 |
|
| 2014 |
Ma Y, Balbuena PB. DFT study of reduction mechanisms of ethylene carbonate and fluoroethylene carbonate on Li+-adsorbed si clusters Journal of the Electrochemical Society. 161. DOI: 10.1149/2.014408Jes |
0.412 |
|
| 2014 |
Ramos-Sanchez G, Callejas-Tovar A, Scanlon LG, Balbuena PB. DFT analysis of Li intercalation mechanisms in the Fe-phthalocyanine cathode of Li-ion batteries Physical Chemistry Chemical Physics. 16: 743-752. DOI: 10.1039/c3cp53161a |
0.663 |
|
| 2014 |
Burgos JC, Jones E, Balbuena PB. Dynamics of topological defects in single-walled carbon nanotubes during catalytic growth Journal of Physical Chemistry C. 118: 4808-4817. DOI: 10.1021/Jp412708H |
0.68 |
|
| 2014 |
Mera HA, Gomez-Ballesteros JL, Balbuena PB. Structure and dynamics of carbon dioxide, nitrogen, water, and their mixtures in metal organic frameworks Journal of Chemical and Engineering Data. 59: 2973-2981. DOI: 10.1021/Je500100F |
0.349 |
|
| 2014 |
González-Huerta RG, Ramos-Sánchez G, Balbuena PB. Oxygen evolution in Co-doped RuO2 and IrO2: Experimental and theoretical insights to diminish electrolysis overpotential Journal of Power Sources. 268: 69-76. DOI: 10.1016/J.Jpowsour.2014.06.029 |
0.722 |
|
| 2014 |
Ramos-Sánchez G, Balbuena PB. CO adsorption on Pt clusters supported on graphite Journal of Electroanalytical Chemistry. 716: 23-30. DOI: 10.1016/J.Jelechem.2013.09.025 |
0.709 |
|
| 2014 |
Ramos-Sanchez G, Albornoz M, Yu Y, Cheng Z, Vasiraju V, Vaddiraju S, El Mellouhi F, Balbuena P. Organic molecule-functionalized Zn3P2 nanowires for photochemical H2 production: DFT and experimental analyses International Journal of Hydrogen Energy. 39: 19887-19898. DOI: 10.1016/J.Ijhydene.2014.10.028 |
0.686 |
|
| 2014 |
Benitez L, Cristancho D, Seminario J, Martinez de la Hoz J, Balbuena P. Electron transfer through solid-electrolyte-interphase layers formed on Si anodes of Li-ion batteries Electrochimica Acta. 140: 250-257. DOI: 10.1016/J.Electacta.2014.05.018 |
0.309 |
|
| 2013 |
Martinez de la Hoz JM, Leung K, Balbuena PB. Reduction mechanisms of ethylene carbonate on si anodes of lithium-ion batteries: effects of degree of lithiation and nature of exposed surface. Acs Applied Materials & Interfaces. 5: 13457-65. PMID 24224826 DOI: 10.1021/Am404365R |
0.398 |
|
| 2013 |
Li JR, Yu J, Lu W, Sun LB, Sculley J, Balbuena PB, Zhou HC. Porous materials with pre-designed single-molecule traps for CO₂ selective adsorption. Nature Communications. 4: 1538. PMID 23443566 DOI: 10.1038/Ncomms2552 |
0.727 |
|
| 2013 |
Martínez de la Hoz JM, Balbuena PB. Local surface structure effect on reactivity of molecules confined between metallic surfaces. Physical Chemistry Chemical Physics : Pccp. 15: 1647-54. PMID 23247727 DOI: 10.1039/C2Cp43517A |
0.404 |
|
| 2013 |
Martínez de la Hoz JM, Balbuena PB. Vibrational spectra of an RDX film over an aluminum substrate from molecular dynamics simulations and density functional theory. Journal of Molecular Modeling. 19: 2773-8. PMID 23086462 DOI: 10.1007/S00894-012-1623-9 |
0.316 |
|
| 2013 |
Lu W, Verdegaal WM, Yu J, Balbuena PB, Jeong HK, Zhou HC. Building multiple adsorption sites in porous polymer networks for carbon capture applications Energy and Environmental Science. 6: 3559-3564. DOI: 10.1039/C3Ee42226G |
0.725 |
|
| 2013 |
Ramos-Sanchez G, Balbuena PB. Interactions of platinum clusters with a graphite substrate Physical Chemistry Chemical Physics. 15: 11950-11959. DOI: 10.1039/C3Cp51791H |
0.699 |
|
| 2013 |
Martinez De La Hoz JM, Ramirez-Caballero GE, Balbuena PB. Characterization of electronic states inside metallic nanopores Journal of Physical Chemistry C. 117: 18406-18413. DOI: 10.1021/Jp404288F |
0.351 |
|
| 2013 |
Ma Y, Balbuena PB, Ball SC, O’Malley R, Theobald BRC, Izzo EL, Murthi VS, Protsailo LV. Evolution of Structure and Activity of Alloy Electrocatalysts during Electrochemical Cycles: Combined Activity, Stability, and Modeling Analysis of PtIrCo(7:1:7) and Comparison with PtCo(1:1) The Journal of Physical Chemistry C. 117: 23224-23234. DOI: 10.1021/Jp404059D |
0.302 |
|
| 2013 |
Gómez-Gualdrón DA, Beetge JM, Burgos JC, Balbuena PB. Effects of precursor type on the CVD growth of single-walled carbon nanotubes Journal of Physical Chemistry C. 117: 10397-10409. DOI: 10.1021/Jp3125236 |
0.659 |
|
| 2013 |
Gómez-Gualdrón DA, Beetge JM, Balbuena PB. Characterization of metal nanocatalyst state and morphology during simulated single-walled carbon nanotube growth Journal of Physical Chemistry C. 117: 12061-12070. DOI: 10.1021/Jp312520V |
0.341 |
|
| 2013 |
Burgos JC, Balbuena PB. Preferential adsorption of zigzag single-walled carbon nanotubes on the ST-cut surface of quartz Journal of Physical Chemistry C. 117: 4639-4646. DOI: 10.1021/Jp311771S |
0.704 |
|
| 2013 |
Yu J, Balbuena PB. Water effects on postcombustion Co2 capture in Mg-MOF-74 Journal of Physical Chemistry C. 117: 3383-3388. DOI: 10.1021/Jp311118X |
0.707 |
|
| 2013 |
Ma J, Habrioux A, Morais C, Lewera A, Vogel W, Verde-Gómez Y, Ramos-Sanchez G, Balbuena PB, Alonso-Vante N. Spectroelectrochemical Probing of the Strong Interaction between Platinum Nanoparticles and Graphitic Domains of Carbon Acs Catalysis. 3: 1940-1950. DOI: 10.1021/Cs4003222 |
0.697 |
|
| 2013 |
Cabrales-Navarro FA, Gómez-Ballesteros JL, Balbuena PB. Molecular dynamics simulations of metal-organic frameworks as membranes for gas mixtures separation Journal of Membrane Science. 428: 241-250. DOI: 10.1016/J.Memsci.2012.10.058 |
0.319 |
|
| 2013 |
Cervantes-Gaxiola ME, Arroyo-Albiter M, Pérez-Larios A, Balbuena PB, Espino-Valencia J. Experimental and theoretical study of NiMoW, NiMo, and NiW sulfide catalysts supported on an AlTiMg mixed oxide during the hydrodesulfurization of dibenzothiophene Fuel. 113: 733-743. DOI: 10.1016/J.Fuel.2013.06.041 |
0.396 |
|
| 2013 |
Callejas-Tovar R, Diaz CA, de la Hoz JMM, Balbuena PB. Dealloying of platinum-based alloy catalysts: Kinetic Monte Carlo simulations Electrochimica Acta. 101: 326-333. DOI: 10.1016/J.Electacta.2013.01.053 |
0.396 |
|
| 2013 |
Gómez-Gualdrón DA, Balbuena PB. Characterization of carbon atomistic pathways during single-walled carbon nanotube growth on supported metal nanoparticles Carbon. 57: 298-309. DOI: 10.1016/J.Carbon.2013.01.077 |
0.37 |
|
| 2012 |
Ramírez-Caballero G, Martínez de la Hoz JM, Balbuena PB. p-n Junction at the Interface between Metallic Systems. The Journal of Physical Chemistry Letters. 3: 818-25. PMID 26286403 DOI: 10.1021/Jz300111C |
0.382 |
|
| 2012 |
Cui P, Ma YG, Li HH, Zhao B, Li JR, Cheng P, Balbuena PB, Zhou HC. Multipoint interactions enhanced CO2 uptake: a zeolite-like zinc-tetrazole framework with 24-nuclear zinc cages. Journal of the American Chemical Society. 134: 18892-5. PMID 23113600 DOI: 10.1021/Ja3063138 |
0.514 |
|
| 2012 |
Wriedt M, Sculley JP, Yakovenko AA, Ma Y, Halder GJ, Balbuena PB, Zhou HC. Low-energy selective capture of carbon dioxide by a pre-designed elastic single-molecule trap. Angewandte Chemie (International Ed. in English). 51: 9804-8. PMID 22945893 DOI: 10.1002/Anie.201202992 |
0.498 |
|
| 2012 |
Park J, Li JR, Chen YP, Yu J, Yakovenko AA, Wang ZU, Sun LB, Balbuena PB, Zhou HC. A versatile metal-organic framework for carbon dioxide capture and cooperative catalysis. Chemical Communications (Cambridge, England). 48: 9995-7. PMID 22935998 DOI: 10.1039/C2Cc34622B |
0.742 |
|
| 2012 |
Yu J, Ma Y, Balbuena PB. Evaluation of the impact of H2O, O2, and SO2 on postcombustion CO2 capture in metal-organic frameworks. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 8064-71. PMID 22545572 DOI: 10.1021/La3009514 |
0.707 |
|
| 2012 |
Ma Y, Hernández L, Guadarrama-Pérez C, Balbuena PB. Ethanol reforming on Co(0001) surfaces: a density functional theory study. The Journal of Physical Chemistry. A. 116: 1409-16. PMID 22250968 DOI: 10.1021/Jp208179E |
0.333 |
|
| 2012 |
Gómez-Gualdrón DA, McKenzie GD, Alvarado JF, Balbuena PB. Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth. Acs Nano. 6: 720-35. PMID 22133430 DOI: 10.1021/Nn204215C |
0.338 |
|
| 2012 |
Callejas-Tovar R, Balbuena PB. Effect of subsurface vacancies on oxygen reduction reaction activity of Pt-based alloys Journal of Physical Chemistry C. 116: 14414-14422. DOI: 10.1021/Jp303135J |
0.391 |
|
| 2012 |
Forti M, Alonso P, Balbuena P. Ab-Initio Studies on Carburization of Fe3Al Based Alloys Procedia Materials Science. 1: 191-198. DOI: 10.1016/J.Mspro.2012.06.026 |
0.354 |
|
| 2012 |
Javier A, Kim YG, Baricuatro JH, Balbuena PB, Soriaga MP. The Structure of Benzoquinone Chemisorbed on Pd(111): Simulation of EC-STM Images and HREELS Spectra by Density Functional Theory Electrocatalysis. 3: 353-359. DOI: 10.1007/S12678-012-0110-5 |
0.393 |
|
| 2012 |
Balbuena PB, Callejas-Tovar R, Hirunsit P, Martínez De La Hoz JM, Ma Y, Ramírez-Caballero GE. Evolution of Pt and Pt-alloy catalytic surfaces under oxygen reduction reaction in acid medium Topics in Catalysis. 55: 322-325. DOI: 10.1007/S11244-012-9800-8 |
0.758 |
|
| 2011 |
Gomez-Gualdrón DA, Burgos JC, Yu J, Balbuena PB. Carbon nanotubes: engineering biomedical applications. Progress in Molecular Biology and Translational Science. 104: 175-245. PMID 22093220 DOI: 10.1016/B978-0-12-416020-0.00005-X |
0.776 |
|
| 2011 |
Callejas-Tovar R, Balbuena PB. Molecular dynamics simulations of surface oxide-water interactions on Pt(111) and Pt/PtCo/Pt3Co(111). Physical Chemistry Chemical Physics : Pccp. 13: 20461-70. PMID 21997769 DOI: 10.1039/C1Cp22490E |
0.449 |
|
| 2011 |
Gómez-Gualdrón DA, Zhao J, Balbuena PB. Nanocatalyst structure as a template to define chirality of nascent single-walled carbon nanotubes. The Journal of Chemical Physics. 134: 014705. PMID 21219018 DOI: 10.1063/1.3509387 |
0.485 |
|
| 2011 |
Yu J, Balbuena PB, Budzien J, Leung K. Hybrid DFT functional-based static and molecular dynamics studies of excess electron in liquid ethylene carbonate Journal of the Electrochemical Society. 158. DOI: 10.1149/1.3545977 |
0.719 |
|
| 2011 |
Callejas-Tovar R, Liao W, Mera H, Balbuena PB. Molecular dynamics simulations of surface oxidation on Pt and Pt/PtCo/Pt3Co nanoparticles supported over carbon Journal of Physical Chemistry C. 115: 23768-23777. DOI: 10.1021/Jp208286G |
0.428 |
|
| 2011 |
Martínez De La Hoz JM, Balbuena PB. Geometric and electronic confinement effects on catalysis Journal of Physical Chemistry C. 115: 21324-21333. DOI: 10.1021/Jp207548K |
0.427 |
|
| 2011 |
Burgos JC, Jones E, Balbuena PB. Effect of the metal-substrate interaction strength on the growth of single-walled carbon nanotubes Journal of Physical Chemistry C. 115: 7668-7675. DOI: 10.1021/Jp200919J |
0.69 |
|
| 2011 |
Callejas-Tovar R, Liao W, Martinez de la Hoz JM, Balbuena PB. Molecular Dynamics Simulations of Surface Oxidation on Pt(111) and Pt/PtCo/Pt3Co(111) The Journal of Physical Chemistry C. 115: 4104-4113. DOI: 10.1021/Jp110436E |
0.451 |
|
| 2011 |
Ramirez-Caballero GE, Mathkari A, Balbuena PB. Confinement-induced polymerization of ethylene Journal of Physical Chemistry C. 115: 2134-2139. DOI: 10.1021/Jp1097124 |
0.371 |
|
| 2011 |
Sitthisa S, Sooknoi T, Ma Y, Balbuena PB, Resasco DE. Kinetics and mechanism of hydrogenation of furfural on Cu/SiO2 catalysts Journal of Catalysis. 277: 1-13. DOI: 10.1016/J.Jcat.2010.10.005 |
0.372 |
|
| 2011 |
Ramírez-Caballero GE, Balbuena PB. Confinement-induced changes in magnetic behavior of a Ti monolayer on Pt Chemical Physics Letters. 507: 117-121. DOI: 10.1016/J.Cplett.2011.03.047 |
0.356 |
|
| 2011 |
Li JR, Ma Y, McCarthy MC, Sculley J, Yu J, Jeong HK, Balbuena PB, Zhou HC. Carbon dioxide capture-related gas adsorption and separation in metal-organic frameworks Coordination Chemistry Reviews. 255: 1791-1823. DOI: 10.1016/J.Ccr.2011.02.012 |
0.737 |
|
| 2011 |
Callejas-Tovar R, Balbuena PB. Molecular simulations of the oxidation of platinum-based alloy catalysts for fuel cells 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings. |
0.324 |
|
| 2010 |
Ramirez-Caballero GE, Hirunsit P, Balbuena PB. Shell-anchor-core structures for enhanced stability and catalytic oxygen reduction activity. The Journal of Chemical Physics. 133: 134705. PMID 20942553 DOI: 10.1063/1.3481482 |
0.76 |
|
| 2010 |
Ramírez-Caballero GE, Balbuena PB. Confinement effects on alloy reactivity. Physical Chemistry Chemical Physics : Pccp. 12: 12466-71. PMID 20721369 DOI: 10.1039/C0Cp00464B |
0.364 |
|
| 2010 |
Ritter JA, Pan H, Balbuena PB. Adsorption of binary gas mixtures in heterogeneous carbon predicted by density functional theory: on the formation of adsorption azeotropes. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 13968-75. PMID 20712330 DOI: 10.1021/La101865M |
0.353 |
|
| 2010 |
Ramírez-Caballero GE, Ma Y, Callejas-Tovar R, Balbuena PB. Surface segregation and stability of core-shell alloy catalysts for oxygen reduction in acid medium. Physical Chemistry Chemical Physics : Pccp. 12: 2209-18. PMID 20165770 DOI: 10.1039/B917899F |
0.405 |
|
| 2010 |
Ma Y, Balbuena PB. Role of iridium in pt-based alloy catalysts for the ORR: Surface adsorption and stabilization studies Journal of the Electrochemical Society. 157. DOI: 10.1149/1.3409559 |
0.408 |
|
| 2010 |
Ramírez-Caballero GE, Balbuena PB. Dissolution-resistant core-shell materials for acid medium oxygen reduction electrocatalysts Journal of Physical Chemistry Letters. 1: 724-728. DOI: 10.1021/Jz1000165 |
0.374 |
|
| 2010 |
Burgos JC, Reyna H, Yakobson BI, Balbuena PB. Interplay of catalyst size and metal-carbon interactions on the growth of single-walled carbon nanotubes Journal of Physical Chemistry C. 114: 6952-6958. DOI: 10.1021/Jp911905P |
0.681 |
|
| 2010 |
Hirunsit P, Balbuena PB. Stability of Pt monolayers on Ir-Co cores with and without a Pd interlayer Journal of Physical Chemistry C. 114: 13055-13060. DOI: 10.1021/Jp1033728 |
0.746 |
|
| 2010 |
Gong K, Chen WF, Sasaki K, Su D, Vukmirovic MB, Zhou W, Izzo EL, Perez-Acosta C, Hirunsit P, Balbuena PB, Adzic RR. Platinum-monolayer electrocatalysts: Palladium interlayer on IrCo alloy core improves activity in oxygen-reduction reaction Journal of Electroanalytical Chemistry. 649: 232-237. DOI: 10.1016/J.Jelechem.2010.04.011 |
0.742 |
|
| 2010 |
Martínez De La Hoz JM, León-Quintero DF, Hirunsit P, Balbuena PB. Evolution of a Pt (1 1 1) surface at high oxygen coverage in acid medium Chemical Physics Letters. 498: 328-333. DOI: 10.1016/J.Cplett.2010.08.083 |
0.747 |
|
| 2010 |
Javier A, Li D, Balbuena PB, Soriaga MP. Density Functional Study of Benzoquinone Sulfonate Adsorbed on a Pd(111) Electrode Surface Electrocatalysis. 1: 159-162. DOI: 10.1007/S12678-010-0024-Z |
0.325 |
|
| 2010 |
Callejas-Tovar R, Balbuena PB. Stability studies of platinum-based alloy catalysts for fuel cells using kinetic Monte Carlo simulations 10aiche - 2010 Aiche Spring Meeting and 6th Global Congress On Process Safety. |
0.324 |
|
| 2010 |
Martinez-De La Hoz JM, Balbuena PB. Evolution of the Pt (111) surface under the presence of oxygen, chlorine and hydronium species 10aiche - 2010 Aiche Spring Meeting and 6th Global Congress On Process Safety. |
0.311 |
|
| 2009 |
Ribas MA, Ding F, Balbuena PB, Yakobson BI. Nanotube nucleation versus carbon-catalyst adhesion--probed by molecular dynamics simulations. The Journal of Chemical Physics. 131: 224501. PMID 20001051 DOI: 10.1063/1.3266947 |
0.382 |
|
| 2009 |
Gómez-Gualdrón DA, Balbuena PB. Growth of chiral single-walled carbon nanotube caps in the presence of a cobalt cluster. Nanotechnology. 20: 215601. PMID 19423932 DOI: 10.1088/0957-4484/20/21/215601 |
0.352 |
|
| 2009 |
Scanlon LG, Feld WA, Balbuena PB, Sandi G, Duan X, Underwood KA, Hunter N, Mack J, Rottmayer MA, Tsao M. Hydrogen storage based on physisorption. The Journal of Physical Chemistry. B. 113: 4708-17. PMID 19275199 DOI: 10.1021/Jp809097V |
0.363 |
|
| 2009 |
Ramírez-Caballero GE, Balbuena PB, Alonso PR, Gargano PH, Rubiolo GH. Carbon Adsorption and Absorption in the (111) L12 Fe3Al Surface The Journal of Physical Chemistry C. 113: 18321-18330. DOI: 10.1021/Jp907148Q |
0.393 |
|
| 2009 |
Ramírez-Caballero GE, Burgos JC, Balbuena PB. Growth of carbon structures on stepped (211)Co surfaces Journal of Physical Chemistry C. 113: 15658-15666. DOI: 10.1021/Jp902878Q |
0.689 |
|
| 2009 |
Ramirez-Caballero GE, Balbuena PB. Effects of confinement on oxygen adsorbed between pt(111) surfaces Journal of Physical Chemistry C. 113: 7851-7856. DOI: 10.1021/Jp9012812 |
0.419 |
|
| 2009 |
Gómez-Gualdrón DA, Balbuena PB. Effect of metal cluster-cap interactions on the catalyzed growth of single-wall carbon nanotubes Journal of Physical Chemistry C. 113: 698-709. DOI: 10.1021/Jp808457J |
0.365 |
|
| 2009 |
Hirunsit P, Balbuena PB. Effects of water and electric field on atomic oxygen adsorption on Pt-Co alloys Surface Science. 603: 3239-3248. DOI: 10.1016/J.Susc.2009.09.011 |
0.759 |
|
| 2009 |
Hirunsit P, Balbuena PB. Surface atomic distribution and water adsorption on Pt-Co alloys Surface Science. 603: 912-920. DOI: 10.1016/J.Susc.2009.02.004 |
0.754 |
|
| 2009 |
Ma Y, Balbuena PB. Surface segregation in bimetallic Pt3M (M = Fe, Co, Ni) alloys with adsorbed oxygen Surface Science. 603: 349-353. DOI: 10.1016/J.Susc.2008.11.036 |
0.406 |
|
| 2009 |
Balbuena PB, Wang Y, Lamas EJ, Calvo SR, Agapito LA, Seminario JM. Reactivity of bimetallic nanoclusters toward the oxygen reduction in acid medium Topics in Applied Physics. 113: 509-532. DOI: 10.1007/978-0-387-78691-9_19 |
0.762 |
|
| 2008 |
Ma Y, Balbuena PB. Kinetic Model of Surface Segregation in Pt-Based Alloys. Journal of Chemical Theory and Computation. 4: 1991-5. PMID 26620471 DOI: 10.1021/Ct8004062 |
0.416 |
|
| 2008 |
Lamonte K, Gómez Gualdrón DA, Cabrales-Navarro FA, Scanlon LG, Sandi G, Feld W, Balbuena PB. Molecular dynamics simulations of H2 adsorption in tetramethyl ammonium lithium phthalocyanine crystalline structures. The Journal of Physical Chemistry. B. 112: 15775-82. PMID 19367822 DOI: 10.1021/Jp8050998 |
0.774 |
|
| 2008 |
Balbuena PB, Blocker W, Dudek RM, Cabrales-Navarro FA, Hirunsit P. Vibrational spectra of anhydrous and monohydrated caffeine and theophylline molecules and crystals. The Journal of Physical Chemistry. A. 112: 10210-9. PMID 18816035 DOI: 10.1021/Jp805499M |
0.69 |
|
| 2008 |
Hirunsit P, Balbuena PB. Addition reactions of alkyl and carboxyl radicals to vinylidene fluoride. The Journal of Physical Chemistry. A. 112: 4483-9. PMID 18396852 DOI: 10.1021/Jp711101B |
0.665 |
|
| 2008 |
Tarazona-Vasquez F, Balbuena PB. Pt(II) uptake by dendrimer outer pockets: 2. Solvent-mediated complexation. The Journal of Physical Chemistry. B. 112: 4182-93. PMID 18341316 DOI: 10.1021/Jp076152Z |
0.319 |
|
| 2008 |
Tarazona-Vasquez F, Balbuena PB. Pt(II) uptake by dendrimer outer pockets: 1. Solventless ligand exchange reaction. The Journal of Physical Chemistry. B. 112: 4172-81. PMID 18341315 DOI: 10.1021/Jp0761517 |
0.337 |
|
| 2008 |
Ma Y, Balbuena PB. Surface properties and dissolution trends of Pt3M alloys in the presence of adsorbates Journal of Physical Chemistry C. 112: 14520-14528. DOI: 10.1021/Jp8046888 |
0.459 |
|
| 2008 |
Gu Z, Balbuena PB. Atomic oxygen absorption into Pt-based alloy subsurfaces Journal of Physical Chemistry C. 112: 5057-5065. DOI: 10.1021/Jp711875E |
0.598 |
|
| 2008 |
Zhao J, Balbuena PB. Effect of nanotube length on the aromaticity of single-wall carbon nanotubes Journal of Physical Chemistry C. 112: 3482-3488. DOI: 10.1021/Jp075742U |
0.406 |
|
| 2008 |
Zhang Y, Scanlon LG, Balbuena PB. Chapter 6 Hydrogen adsorption in corannulene-based materials Theoretical and Computational Chemistry. 18: 127-166. DOI: 10.1016/S1380-7323(06)80008-7 |
0.497 |
|
| 2008 |
Balbuena PB, Saenz LR, Herrera C, Seminario JM. Chapter 1 Electrical characteristics of bulk-molecule interfaces Theoretical and Computational Chemistry. 18: 1-33. DOI: 10.1016/S1380-7323(06)80003-8 |
0.427 |
|
| 2008 |
Callejas-Tovar R, Balbuena PB. Oxygen adsorption and surface segregation in (2 1 1) surfaces of Pt(shell)/M(core) and Pt3M (M = Co, Ir) alloys Surface Science. 602: 3531-3539. DOI: 10.1016/J.Susc.2008.09.023 |
0.417 |
|
| 2008 |
Ma Y, Balbuena PB. Pt surface segregation in bimetallic Pt3M alloys: A density functional theory study Surface Science. 602: 107-113. DOI: 10.1016/J.Susc.2007.09.052 |
0.427 |
|
| 2008 |
Ramirez-Caballero GE, Balbuena PB. Surface segregation of core atoms in core-shell structures Chemical Physics Letters. 456: 64-67. DOI: 10.1016/J.Cplett.2008.03.008 |
0.433 |
|
| 2007 |
Hirunsit P, Balbuena PB. Effects of confinement on small water clusters structure and proton transport. The Journal of Physical Chemistry. A. 111: 10722-31. PMID 17914778 DOI: 10.1021/Jp074818J |
0.703 |
|
| 2007 |
Martinez-Limia A, Zhao J, Balbuena PB. Molecular dynamics study of the initial stages of catalyzed single-wall carbon nanotubes growth: force field development. Journal of Molecular Modeling. 13: 595-600. PMID 17347824 DOI: 10.1007/S00894-007-0188-5 |
0.456 |
|
| 2007 |
Ma Y, Balbuena PB. Catalytic activity tuning of a biomimetic HO-FeV=O oxidant for methane hydroxylation by substituents on aromatic rings: theoretical study. The Journal of Physical Chemistry. B. 111: 2711-8. PMID 17315920 DOI: 10.1021/Jp067429I |
0.35 |
|
| 2007 |
Tarazona-Vasquez F, Balbuena PB. Dendrimer-tetrachloroplatinate precursor interactions. 1. Hydration of Pt(II) species and PAMAM outer pockets. The Journal of Physical Chemistry. A. 111: 932-44. PMID 17266235 DOI: 10.1021/Jp065014R |
0.357 |
|
| 2007 |
Gu Z, Balbuena PB. Chemical environment effects on the atomic oxygen absorption into Pt(111) subsurfaces Journal of Physical Chemistry C. 111: 17388-17396. DOI: 10.1021/Jp074948S |
0.623 |
|
| 2007 |
Gómez Gualdrón DA, Balbuena PB. Classical molecular dynamics of clathrate-methane-water-kinetic inhibitor composite systems Journal of Physical Chemistry C. 111: 15554-15564. DOI: 10.1021/Jp071959C |
0.303 |
|
| 2007 |
Gu Z, Balbuena PB. Absorption of atomic oxygen into subsurfaces of Pt(111) and Pt(111): Density functional theory study Journal of Physical Chemistry C. 111: 9877-9883. DOI: 10.1021/Jp0711693 |
0.62 |
|
| 2007 |
Hirunsit P, Balbuena PB. Effects of confinement on water structure and dynamics: A molecular simulation study Journal of Physical Chemistry C. 111: 1709-1715. DOI: 10.1021/Jp063718V |
0.704 |
|
| 2007 |
Calvo SR, Balbuena PB. Theoretical analysis of reactivity on Pt(1 1 1) and Pt-Pd(1 1 1) alloys Surface Science. 601: 4786-4792. DOI: 10.1016/J.Susc.2007.07.024 |
0.816 |
|
| 2007 |
Calvo SR, Balbuena PB. Density functional theory analysis of reactivity of PtxPdy alloy clusters Surface Science. 601: 165-171. DOI: 10.1016/J.Susc.2006.09.017 |
0.804 |
|
| 2007 |
Ma Y, Balbuena PB. OOH dissociation on Pt clusters Chemical Physics Letters. 447: 289-294. DOI: 10.1016/J.Cplett.2007.09.034 |
0.398 |
|
| 2007 |
Ma Y, Balbuena PB. Designing oxygen reduction catalysts: Insights from metalloenzymes Chemical Physics Letters. 440: 130-133. DOI: 10.1016/J.Cplett.2007.04.022 |
0.382 |
|
| 2006 |
Lamas EJ, Balbuena PB. Oxygen Reduction on Pd0.75Co0.25 (111) and Pt0.75Co0.25 (111) Surfaces: An ab Initio Comparative Study. Journal of Chemical Theory and Computation. 2: 1388-94. PMID 26626846 DOI: 10.1021/Ct6002059 |
0.82 |
|
| 2006 |
Zhang Y, Scanlon LG, Rottmayer MA, Balbuena PB. Computational investigation of adsorption of molecular hydrogen on lithium-doped corannulene. The Journal of Physical Chemistry. B. 110: 22532-41. PMID 17091998 DOI: 10.1021/jp063963e |
0.434 |
|
| 2006 |
Saenz LR, Balbuena PB, Seminario JM. Platinum testbeds: interaction with oxygen. The Journal of Physical Chemistry. A. 110: 11968-74. PMID 17064185 DOI: 10.1021/Jp064691I |
0.402 |
|
| 2006 |
Balbuena PB, Calvo SR, Lamas EJ, Salazar PF, Seminario JM. Adsorption and dissociation of H2O2 on Pt and Pt-alloy clusters and surfaces. The Journal of Physical Chemistry. B. 110: 17452-9. PMID 16942084 DOI: 10.1021/Jp063027Z |
0.801 |
|
| 2006 |
Gu Z, Balbuena PB. Dissolution of oxygen reduction electrocatalysts in an acidic environment: density functional theory study. The Journal of Physical Chemistry. A. 110: 9783-7. PMID 16898677 DOI: 10.1021/Jp063447O |
0.616 |
|
| 2006 |
Balbuena PB, Zhao J, Huang S, Wang Y, Sakulchaicharoen N, Resasco DE. Role of the catalyst in the growth of single-wall carbon nanotubes. Journal of Nanoscience and Nanotechnology. 6: 1247-58. PMID 16792351 DOI: 10.1166/Jnn.2006.141 |
0.592 |
|
| 2006 |
Scanlon LG, Balbuena PB, Zhang Y, Sandi G, Back CK, Feld WA, Mack J, Rottmayer MA, Riepenhoff JL. Investigation of corannulene for molecular hydrogen storage via computational chemistry and experimentation. The Journal of Physical Chemistry. B. 110: 7688-94. PMID 16610862 DOI: 10.1021/jp0574403 |
0.465 |
|
| 2006 |
Yan L, Balbuena PB, Seminario JM. Perfluorobutane sulfonic acid hydration and interactions with O2 adsorbed on Pt3. The Journal of Physical Chemistry. A. 110: 4574-81. PMID 16571065 DOI: 10.1021/Jp056748R |
0.37 |
|
| 2006 |
Zhao J, Balbuena PB. Structural and reactivity properties of finite length cap-ended single-wall carbon nanotubes. The Journal of Physical Chemistry. A. 110: 2771-5. PMID 16494388 DOI: 10.1021/Jp0570418 |
0.457 |
|
| 2006 |
Gu Z, Wang Y, Balbuena PB. Does the decomposition of peroxydicarbonates and diacyl peroxides proceed in a stepwise or concerted pathway? The Journal of Physical Chemistry. A. 110: 2448-54. PMID 16480304 DOI: 10.1021/Jp055472K |
0.6 |
|
| 2006 |
Ramirez Caballero GE, Balbuena PB. Surface segregation phenomena in Pt-Pd nanoparticles: Dependence on nanocluster size Molecular Simulation. 32: 297-303. DOI: 10.1080/08927020600684337 |
0.771 |
|
| 2006 |
Ma Y, Balbuena PB. Density functional theory approach for improving the catalytic activity of a biomimetic model based on the Fe-only hydrogenase active site Journal of Electroanalytical Chemistry. 598: 15-21. DOI: 10.1016/J.Jelechem.2006.08.009 |
0.313 |
|
| 2006 |
Lamas EJ, Balbuena PB. Molecular dynamics studies of a model polymer-catalyst-carbon interface Electrochimica Acta. 51: 5904-5911. DOI: 10.1016/J.Electacta.2006.03.033 |
0.79 |
|
| 2006 |
Lamas EJ, Balbuena PB. Ab initio and MD studies of the catalyst - Nafion interfacial region in Pem fuel cells Aiche Annual Meeting, Conference Proceedings. |
0.788 |
|
| 2005 |
Wang Y, Balbuena PB. Potential Energy Surface Profile of the Oxygen Reduction Reaction on a Pt Cluster: Adsorption and Decomposition of OOH and H2O2. Journal of Chemical Theory and Computation. 1: 935-43. PMID 26641909 DOI: 10.1021/Ct0500794 |
0.575 |
|
| 2005 |
Zhao J, Martinez-Limia A, Balbuena PB. Understanding catalysed growth of single-wall carbon nanotubes. Nanotechnology. 16: S575-81. PMID 21727479 DOI: 10.1088/0957-4484/16/7/035 |
0.404 |
|
| 2005 |
Wang Y, Balbuena PB. Design of oxygen reduction bimetallic catalysts: ab-initio-derived thermodynamic guidelines. The Journal of Physical Chemistry. B. 109: 18902-6. PMID 16853433 DOI: 10.1021/Jp0543779 |
0.477 |
|
| 2005 |
Wang Y, Balbuena PB. Ab initio molecular dynamics simulations of the oxygen reduction reaction on a Pt(111) surface in the presence of hydrated hydronium (H3O)(+)(H2O)2: direct or series pathway? The Journal of Physical Chemistry. B. 109: 14896-907. PMID 16852887 DOI: 10.1021/Jp050241Z |
0.499 |
|
| 2005 |
Tarazona-Vasquez F, Balbuena PB. Complexation of Cu(II) Ions with the lowest generation poly(amido-amine)-OH dendrimers: a molecular simulation study. The Journal of Physical Chemistry. B. 109: 12480-90. PMID 16852543 DOI: 10.1021/Jp051469P |
0.302 |
|
| 2005 |
Zhang Y, Wang Y, Scanlon LG, Balbuena PB. Ab initio and classical molecular dynamics studies of the dilithium phthalocyanine/pyrite interfacial structure Journal of the Electrochemical Society. 152. DOI: 10.1149/1.2008979 |
0.597 |
|
| 2005 |
Calvo SR, Balbuena PB. Molecular dynamics studies of phonon spectra in mono- and bimetallic nanoclusters Surface Science. 581: 213-224. DOI: 10.1016/J.Susc.2005.02.042 |
0.785 |
|
| 2005 |
Balbuena PB, Lamas EJ, Wang Y. Molecular modeling studies of polymer electrolytes for power sources Electrochimica Acta. 50: 3788-3795. DOI: 10.1016/J.Electacta.2005.02.063 |
0.797 |
|
| 2005 |
Seminario JM, Agapito LA, Yan L, Balbuena PB. Density functional theory study of adsorption of OOH on Pt-based bimetallic clusters alloyed with Cr, Co, and Ni Chemical Physics Letters. 410: 275-281. DOI: 10.1016/J.Cplett.2005.05.077 |
0.433 |
|
| 2005 |
Gu Z, Balbuena PB. Structural characterization of Pt nanoclusters deposited on graphite: Effects of substrate and surrounding medium Catalysis Today. 105: 152-161. DOI: 10.1016/J.Cattod.2005.04.012 |
0.62 |
|
| 2005 |
Wang Y, Balbuena PB. Theoretical studies on cosolvation of Li ion and solvent reductive decomposition in binary mixtures of aliphatic carbonates International Journal of Quantum Chemistry. 102: 724-733. DOI: 10.1002/Qua.20466 |
0.499 |
|
| 2005 |
Lamas EJ, Balbuena PB. Theoretical studies of oxygen reduction intermediates on Pt-Co alloys Aiche Annual Meeting Conference Proceedings. 2005. |
0.81 |
|
| 2005 |
Calvo SR, Balbuena PB. Dft studies of the decomposition of the radical Ooh on Pt-based clusters and surfaces Aiche Annual Meeting, Conference Proceedings. 11525. |
0.827 |
|
| 2005 |
Lamas EJ, Balbuena PB. Theoretical studies of oxygen reduction intermediates on Pt - Co alloys Aiche Annual Meeting, Conference Proceedings. 11523. |
0.815 |
|
| 2005 |
Calvo S, Mainardi DS, Jansen APJ, Lukkien JJ, Balbuena PB. Test of a mechanism for O2 electroreduction on Pt (111) via dynamic Monte Carlo simulations Proceedings - Electrochemical Society. 239-249. |
0.633 |
|
| 2004 |
Scanlon LG, Lucente LR, Feld WA, Sandi G, Balbuena PB, Alonso PR, Turner A. Composite cathode with Li2Pc Journal of the Electrochemical Society. 151. DOI: 10.1149/1.1772780 |
0.323 |
|
| 2004 |
Tarazona-Vasquez F, Balbuena PB. Ab initio study of the lowest energy conformera and IR spectra of poly(amidoamine)-G0 dendrimers Journal of Physical Chemistry B. 108: 15982-15991. DOI: 10.1021/Jp049325I |
0.311 |
|
| 2004 |
Tarazona-Vasquez F, Balbuena PB. Complexation of the lowest generation poly(amidoamine)-NH 2 dendrimers with metal ions, metal atoms, and Cu(II) hydrates: An ab initio study Journal of Physical Chemistry B. 108: 15992-16001. DOI: 10.1021/Jp049324Q |
0.334 |
|
| 2004 |
Balbuena PB, Altomare D, Vadlamani N, Bingi S, Agapito LA, Seminario JM. Adsorption of O, OH, and H2O on Pt-Based Bimetallic Clusters Alloyed with Co, Cr, and Ni The Journal of Physical Chemistry A. 108: 6378-6384. DOI: 10.1021/Jp0489572 |
0.396 |
|
| 2004 |
Wang Y, Balbuena PB. Combined ab initio quantum mechanics and classical molecular dynamics studies of polyphosphazene polymer electrolytes: Competitive solvation of Li + and LiCF 3SO 3 Journal of Physical Chemistry B. 108: 15694-15702. DOI: 10.1021/Jp047782T |
0.365 |
|
| 2004 |
Wang Y, Balbuena PB. Roles of Proton and Electric Field in the Electroreduction of O 2 on Pt(1 1 1) Surfaces: Results of an Ab-Initio Molecular Dynamics Study Journal of Physical Chemistry B. 108: 4376-4384. DOI: 10.1021/Jp037323C |
0.481 |
|
| 2004 |
Zhang Y, Alonso PR, Martinez-Limia A, Scanlon LG, Balbuena PB. Crystalline Structure and Lithium-Ion Channel Formation in Self-Assembled Di-lithium Phthalocyanine: Theory and Experiments Journal of Physical Chemistry B. 108: 4659-4668. DOI: 10.1021/Jp037322K |
0.466 |
|
| 2004 |
Calvo SR, LeBlanc RJ, Williams CT, Balbuena PB. Molecular dynamics simulations of cinchonidine-modified platinum in ethanol: Comparisons with surface studies Surface Science. 563: 57-73. DOI: 10.1016/J.Susc.2004.05.139 |
0.807 |
|
| 2003 |
Mainardi DS, Balbuena PB. Hydrogen and oxygen adsorption on Rhn (n = 1-6) clusters Journal of Physical Chemistry A. 107: 10370-10380. DOI: 10.1021/Jp036093Z |
0.657 |
|
| 2003 |
Balbuena PB, Altomare D, Agapito L, Seminario JM. Theoretical analysis of oxygen adsorption on Pt-based clusters alloyed with Co, Ni, or Cr embedded in a Pt matrix Journal of Physical Chemistry B. 107: 13671-13680. DOI: 10.1021/Jp035729J |
0.43 |
|
| 2003 |
Lamas EJ, Balbuena PB. Adsorbate effects on structure and shape of supported nanoclusters: A molecular dynamics study Journal of Physical Chemistry B. 107: 11682-11689. DOI: 10.1021/Jp034233Z |
0.801 |
|
| 2003 |
Wang Y, Balbuena PB. Adsorption and 2-Dimensional Association of Lithium Alkyl Dicarbonates on the Graphite Surface through O-···Li+···π (arene) Interactions The Journal of Physical Chemistry B. 107: 5503-5510. DOI: 10.1021/Jp027251+ |
0.505 |
|
| 2003 |
Li T, Balbuena PB. Oxygen reduction on a platinum cluster Chemical Physics Letters. 367: 439-447. DOI: 10.1016/S0009-2614(02)01755-4 |
0.371 |
|
| 2003 |
Huang SP, Mainardi DS, Balbuena PB. Structure and dynamics of graphite-supported bimetallic nanoclusters Surface Science. 545: 163-179. DOI: 10.1016/J.Susc.2003.08.050 |
0.651 |
|
| 2003 |
Mainardi DS, Calvo SR, Jansen APJ, Lukkien JJ, Balbuena PB. Dynamic Monte Carlo simulations of O2 adsorption and reaction on Pt(1 1 1) Chemical Physics Letters. 382: 553-560. DOI: 10.1016/J.Cplett.2003.10.124 |
0.809 |
|
| 2002 |
Wang Y, Nakamura S, Tasaki K, Balbuena PB. Theoretical studies to understand surface chemistry on carbon anodes for lithium-ion batteries: how does vinylene carbonate play its role as an electrolyte additive? Journal of the American Chemical Society. 124: 4408-21. PMID 11960470 DOI: 10.1021/Ja017073I |
0.521 |
|
| 2002 |
Huang SP, Balbuena PB. Platinum nanoclusters on graphite substrates: A molecular dynamics study Molecular Physics. 100: 2165-2174. DOI: 10.1080/0026897021012127 |
0.374 |
|
| 2002 |
Wang Y, Balbuena PB. Associations of lithium alkyl dicarbonates through O⋯Li⋯O interactions Journal of Physical Chemistry A. 106: 9582-9594. DOI: 10.1021/Jp026329J |
0.5 |
|
| 2002 |
Wang Y, Balbuena PB. Theoretical insights into the reductive decompositions of propylene carbonate and vinylene carbonate: Density functional theory studies Journal of Physical Chemistry B. 106: 4486-4495. DOI: 10.1021/Jp014371T |
0.35 |
|
| 2001 |
Wang Y, Nakamura S, Ue M, Balbuena PB. Theoretical studies to understand surface chemistry on carbon anodes for lithium-ion batteries: Reduction mechanisms of ethylene carbonate Journal of the American Chemical Society. 123: 11708-11718. PMID 11716728 DOI: 10.1021/Ja0164529 |
0.348 |
|
| 2001 |
Márquez A, Balbuena PB. Molecular Dynamics Study of Graphite/Electrolyte Interfaces Journal of the Electrochemical Society. 148. DOI: 10.1149/1.1372216 |
0.337 |
|
| 2001 |
Mainardi DS, Balbuena PB. Monte Carlo simulation of Cu-Ni nanoclusters: Surface segregation studies Langmuir. 17: 2047-2050. DOI: 10.1021/La0014306 |
0.6 |
|
| 2001 |
Wang Y, Balbuena PB. Associations of alkyl carbonates: Intermolecular C-H⋯O interactions Journal of Physical Chemistry A. 105: 9972-9982. DOI: 10.1021/Jp0126614 |
0.487 |
|
| 2001 |
Li T, Balbuena PB. Computational studies of the interactions of oxygen with platinum clusters Journal of Physical Chemistry B. 105: 9943-9952. DOI: 10.1021/Jp0118219 |
0.392 |
|
| 2001 |
Derosa PA, Seminario JM, Balbuena PB. Properties of small bimetallic Ni-Cu clusters Journal of Physical Chemistry A. 105: 7917-7925. DOI: 10.1021/Jp0104637 |
0.364 |
|
| 2001 |
Li T, Wlaschin A, Balbuena PB. Theoretical studies of proton transfer in water and model polymer electrolyte systems Industrial and Engineering Chemistry Research. 40: 4789-4800. DOI: 10.1021/Ie010467Y |
0.33 |
|
| 2001 |
Mainardi DS, Balbuena PB. Surface segregation in bimetallic nanoclusters: Geometric and thermodynamic effects International Journal of Quantum Chemistry. 85: 580-591. DOI: 10.1002/Qua.1524 |
0.647 |
|
| 2000 |
Ferreira Coelho LA, Marchut A, de Oliveira JV, Balbuena PB. Theoretical Studies of Energetics and Diffusion of Aromatic Compounds in Supercritical Carbon Dioxide Industrial & Engineering Chemistry Research. 39: 227-235. DOI: 10.1021/Ie990266I |
0.345 |
|
| 2000 |
Li T, Balbuena PB. Theoretical studies of the reduction of ethylene carbonate Chemical Physics Letters. 317: 421-429. DOI: 10.1016/S0009-2614(99)01374-3 |
0.335 |
|
| 1999 |
Li T, Balbuena PB. Theoretical studies of lithium perchlorate in ethylene carbonate, propylene carbonate, and their mixtures Journal of the Electrochemical Society. 146: 3613-3622. DOI: 10.1149/1.1392523 |
0.305 |
|
| 1999 |
Pan H, Ritter JA, Balbuena PB. Binary isosteric heats of adsorption in carbon predicted from density functional theory Langmuir. 15: 4570-4578. DOI: 10.1021/La981511Q |
0.304 |
|
| 1999 |
Balbuena PB, Derosa PA, Seminario JM. Density Functional Theory Study of Copper Clusters Journal of Physical Chemistry B. 103: 2830-2840. DOI: 10.1021/Jp982775O |
0.334 |
|
| 1999 |
Balbuena PB, Wang L, Li T, Derosa PA. Chapter 11 Ab initio and molecular dynamics studies of cation-water interactions Theoretical and Computational Chemistry. 7: 431-469. DOI: 10.1016/S1380-7323(99)80044-2 |
0.344 |
|
| 1998 |
Márquez A, Vargas A, Balbuena PB. Computational studies of lithium intercalation in model graphite in the presence of tetrahydrofuran Journal of the Electrochemical Society. 145: 3328-3334. DOI: 10.1149/1.1838807 |
0.379 |
|
| 1998 |
Balbuena PB, Johnston KP, Rossky PJ, Hyun JK. Aqueous ion transport properties and water reorientation dynamics from ambient to supercritical conditions Journal of Physical Chemistry B. 102: 3806-3814. DOI: 10.1021/Jp972870H |
0.48 |
|
| 1998 |
Pan H, Ritter JA, Balbuena PB. Isosteric Heats of Adsorption on Carbon Predicted by Density Functional Theory Industrial & Engineering Chemistry Research. 37: 1159-1166. DOI: 10.1021/Ie9705867 |
0.373 |
|
| 1997 |
Flanagin LW, Balbuena PB, Johnston KP, Rossky PJ. Ion solvation in supercritical water based on an adsorption analogy Journal of Physical Chemistry B. 101: 7998-8005. DOI: 10.1021/Jp970897V |
0.523 |
|
| 1996 |
Balbuena PB, Johnston KP, Rossky PJ. Molecular dynamics simulation of electrolyte solutions in ambient and supercritical water. 2. Relative acidity of HCl Journal of Physical Chemistry. 100: 2716-2722. DOI: 10.1021/Jp952195G |
0.49 |
|
| 1996 |
Balbuena PB, Johnston KP, Rossky PJ. Molecular dynamics simulation of electrolyte solutions in ambient and supercritical water. 1. Ion solvation Journal of Physical Chemistry. 100: 2706-2715. DOI: 10.1021/Jp952194O |
0.512 |
|
| 1996 |
Johnston KP, Bennett GE, Balbuena PB, Rossky PJ. Continuum electrostatics model for ion solvation and relative acidity of HCl in supercritical water Journal of the American Chemical Society. 118: 6746-6752. DOI: 10.1021/Ja953558T |
0.436 |
|
| 1996 |
Balbuena PB, Seminario JM. DFT study of nickel: Towards the MD simulation of the nickel-water interface Theoretical and Computational Chemistry. 4: 649-677. DOI: 10.1016/S1380-7323(96)80099-9 |
0.388 |
|
| 1995 |
Flanagin LW, Balbuena PB, Johnston KP, Rossky PJ. Temperature and density effects on an SN2 reaction in supercritical water Journal of Physical Chemistry. 99: 5196-5205. DOI: 10.1021/J100014A047 |
0.464 |
|
| 1995 |
Balbuena PB, Johnston KP, Rossky PJ. Computer simulation study of an SN2 reaction in supercritical water Journal of Physical Chemistry. 99: 1554-1565. DOI: 10.1021/J100005A029 |
0.464 |
|
| 1994 |
Balbuena PB, Johnston KP, Rossky PJ. Molecular simulation of a chemical reaction in supercritical water Journal of the American Chemical Society. 116: 2689-2690. DOI: 10.1021/Ja00085A087 |
0.474 |
|
| 1994 |
Jiang S, Gubbins KE, Balbuena PB. Theory of Adsorption of Trace Components The Journal of Physical Chemistry. 98: 2403-2411. DOI: 10.1021/J100060A030 |
0.307 |
|
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