| Lithium-ion batteries: solid-electrolyte interphase PB Balbuena, YX Wang World Scientific, 2004 | 616 | 2004 |
| Theoretical studies to understand surface chemistry on carbon anodes for lithium-ion batteries: reduction mechanisms of ethylene carbonate Y Wang, S Nakamura, M Ue, PB Balbuena Journal of the American Chemical Society 123 (47), 11708-11718, 2001 | 506 | 2001 |
| Theoretical studies to understand surface chemistry on carbon anodes for lithium-ion batteries: how does vinylene carbonate play its role as an electrolyte additive? Y Wang, S Nakamura, K Tasaki, PB Balbuena Journal of the American Chemical Society 124 (16), 4408-4421, 2002 | 294 | 2002 |
| Design of oxygen reduction bimetallic catalysts: ab-initio-derived thermodynamic guidelines Y Wang, PB Balbuena The Journal of Physical Chemistry B 109 (40), 18902-18906, 2005 | 225 | 2005 |
| Theoretical insights into the reductive decompositions of propylene carbonate and vinylene carbonate: density functional theory studies Y Wang, PB Balbuena The Journal of Physical Chemistry B 106 (17), 4486-4495, 2002 | 186 | 2002 |
| 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? Y Wang, PB Balbuena The Journal of Physical Chemistry B 109 (31), 14896-14907, 2005 | 150 | 2005 |
| Roles of Proton and Electric Field in the Electroreduction of O2 on Pt(111) Surfaces: Results of an Ab-Initio Molecular Dynamics Study Y Wang, PB Balbuena The Journal of Physical Chemistry B 108 (14), 4376-4384, 2004 | 125 | 2004 |
| Pseudopotential study of the ground and excited states of Yb2 Y Wang, M Dolg Theoretical Chemistry Accounts 100, 124-133, 1998 | 103 | 1998 |
| Effects of Alloyed Metal on the Catalysis Activity of Pt for Ethanol Partial Oxidation: Adsorption and Dehydrogenation on Pt3M (M = Pt, Ru, Sn, Re, Rh, and Pd) ZF Xu, Y Wang The Journal of Physical Chemistry C 115 (42), 20565-20571, 2011 | 101 | 2011 |
| Associations of Alkyl Carbonates: Intermolecular C− H⊙⊙⊙ O Interactions Y Wang, PB Balbuena The Journal of Physical Chemistry A 105 (43), 9972-9982, 2001 | 98 | 2001 |
| On the bonding of small group 12 clusters HJ Flad, F Schautz, Y Wang, M Dolg, A Savin The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 1999 | 98 | 1999 |
| Theoretical studies on cosolvation of Li ion and solvent reductive decomposition in binary mixtures of aliphatic carbonates Y Wang, PB Balbuena International journal of quantum chemistry 102 (5), 724-733, 2005 | 97 | 2005 |
| Lithium-ion batteries: solid-electrolyte interphase Y Wang Imperial college press, 2004 | 94 | 2004 |
| Understanding the co-loading and releasing of doxorubicin and paclitaxel using chitosan functionalized single-walled carbon nanotubes by molecular dynamics simulations KR Karnati, Y Wang Physical Chemistry Chemical Physics 20 (14), 9389-9400, 2018 | 88 | 2018 |
| Interaction of I50V mutant and I50L/A71V double mutant HIV-protease with inhibitor TMC114 (darunavir): molecular dynamics simulation and binding free energy studies BR Meher, Y Wang The Journal of Physical Chemistry B 116 (6), 1884-1900, 2012 | 80 | 2012 |
| Potential Energy Surface Profile of the Oxygen Reduction Reaction on a Pt Cluster: Adsorption and Decomposition of OOH and H2O2 Y Wang, PB Balbuena Journal of Chemical Theory and Computation 1 (5), 935-943, 2005 | 77 | 2005 |
| Theoretical Evidence for the Stronger Ability of Thymine to Disperse SWCNT than Cytosine and Adenine: self-stacking of DNA bases vs their cross-stacking with SWCNT Y Wang The Journal of Physical Chemistry C 112 (37), 14297-14305, 2008 | 74 | 2008 |
| Interaction mechanism of doxorubicin and SWCNT: protonation and diameter effects on drug loading and releasing Y Wang, Z Xu RSC advances 6 (1), 314-322, 2016 | 73 | 2016 |
| Role of the catalyst in the growth of single-wall carbon nanotubes PB Balbuena, J Zhao, S Huang, Y Wang, N Sakulchaicharoen, ... Journal of Nanoscience and Nanotechnology 6 (5), 1247-1258, 2006 | 59 | 2006 |
| Noncovalent Interactions between Cytosine and SWCNT: Curvature Dependence of Complexes via π⊙⊙⊙ π Stacking and Cooperative CH⊙⊙⊙ π/NH⊙⊙⊙ π Y Wang, Y Bu The Journal of Physical Chemistry B 111 (23), 6520-6526, 2007 | 55 | 2007 |
Perla BalbuenaProfessor of Chemical Engineering, Texas A&M UniversityVerified email at tamu.edu
