| Cooperative insertion of CO2 in diamine-appended metal-organic frameworks TM McDonald, JA Mason, X Kong, ED Bloch, D Gygi, A Dani, V Crocella, ... Nature 519 (7543), 303-308, 2015 | 1257 | 2015 |
| Tailoring electrolyte solvation for Li metal batteries cycled at ultra-low temperature J Holoubek, H Liu, Z Wu, Y Yin, X Xing, G Cai, S Yu, H Zhou, TA Pascal, ... Nature Energy 6 (3), 303-313, 2021 | 576 | 2021 |
| The structure of interfacial water on gold electrodes studied by x-ray absorption spectroscopy JJ Velasco-Velez, CH Wu, TA Pascal, LF Wan, J Guo, D Prendergast, ... Science 346 (6211), 831-834, 2014 | 551 | 2014 |
| Electronic-mechanical coupling in graphene from in situ nanoindentation experiments and multiscale atomistic simulations M Huang, TA Pascal, H Kim, WA Goddard III, JR Greer Nano letters 11 (3), 1241-1246, 2011 | 377 | 2011 |
| Entropy and the driving force for the filling of carbon nanotubes with water TA Pascal, WA Goddard, Y Jung Proceedings of the National Academy of Sciences 108 (29), 11794-11798, 2011 | 366 | 2011 |
| An All-Fluorinated Ester Electrolyte for Stable High-Voltage Li Metal Batteries Capable of Ultra-Low-Temperature Operation J Holoubek, M Yu, S Yu, M Li, Z Wu, D Xia, P Bhaladhare, MS Gonzalez, ... ACS Energy Letters 5 (5), 1438-1447, 2020 | 274 | 2020 |
| Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics TA Pascal, ST Lin, WA Goddard III Physical Chemistry Chemical Physics 13 (1), 169-181, 2011 | 205 | 2011 |
| Polysulfide-Blocking Microporous Polymer Membrane Tailored for Hybrid Li-Sulfur Flow Batteries C Li, AL Ward, SE Doris, TA Pascal, D Prendergast, BA Helms Nano letters 15 (9), 5724-5729, 2015 | 196 | 2015 |
| X-ray absorption spectra of dissolved polysulfides in lithium–sulfur batteries from first-principles TA Pascal, KH Wujcik, J Velasco-Velez, C Wu, AA Teran, M Kapilashrami, ... The Journal of Physical Chemistry Letters 5 (9), 1547-1551, 2014 | 174 | 2014 |
| New insights into the structure of the vapor/water interface from large-scale first-principles simulations TD Kühne, TA Pascal, E Kaxiras, Y Jung The journal of physical chemistry letters 2 (2), 105-113, 2011 | 164 | 2011 |
| Electrolyte design implications of ion-pairing in low-temperature Li metal batteries J Holoubek, K Kim, Y Yin, Z Wu, H Liu, M Li, A Chen, H Gao, G Cai, ... Energy & Environmental Science 15 (4), 1647-1658, 2022 | 155 | 2022 |
| Molecular understanding of polyelectrolyte binders that actively regulate ion transport in sulfur cathodes L Li, TA Pascal, JG Connell, FY Fan, SM Meckler, L Ma, YM Chiang, ... Nature communications 8 (1), 2277, 2017 | 147 | 2017 |
| Characterization of Polysulfide Radicals Present in an Ether‐Based Electrolyte of a Lithium–Sulfur Battery During Initial Discharge Using In Situ X‐Ray Absorption Spectroscopy … KH Wujcik, TA Pascal, CD Pemmaraju, D Devaux, WC Stolte, NP Balsara, ... Advanced Energy Materials 5 (16), 1500285, 2015 | 138 | 2015 |
| Design of covalent organic frameworks for methane storage JL Mendoza-Cortes, TA Pascal, WA Goddard III The Journal of Physical Chemistry A 115 (47), 13852-13857, 2011 | 130 | 2011 |
| Soft X-Ray Second Harmonic Generation as an Interfacial Probe RK Lam, SL Raj, TA Pascal, CD Pemmaraju, L Foglia, A Simoncig, ... Physical Review Letters 120 (2), 023901, 2018 | 104 | 2018 |
| Chemistries for patterning robust DNA microbarcodes enable multiplex assays of cytoplasm proteins from single cancer cells YS Shin, H Ahmad, Q Shi, H Kim, TA Pascal, R Fan, WA Goddard III, ... Chemphyschem: a European journal of chemical physics and physical chemistry …, 2010 | 95 | 2010 |
| Fingerprinting lithium-sulfur battery reaction products by X-ray absorption spectroscopy KH Wujcik, J Velasco-Velez, CH Wu, T Pascal, AA Teran, MA Marcus, ... Journal of The Electrochemical Society 161 (6), A1100, 2014 | 91 | 2014 |
| Lithium Polysulfide Radical Anions in Ether-Based Solvents KH Wujcik, DR Wang, A Raghunathan, M Drake, TA Pascal, ... The Journal of Physical Chemistry C 120 (33), 18403-18410, 2016 | 87 | 2016 |
| The stability of Seeman JX DNA topoisomers of paranemic crossover (PX) molecules as a function of crossover number PK Maiti, TA Pascal, N Vaidehi, WA Goddard III Nucleic acids research 32 (20), 6047-6056, 2004 | 81 | 2004 |
| On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields TA Pascal, D Schärf, Y Jung, TD Kühne The Journal of chemical physics 137 (24), 2012 | 78 | 2012 |
William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsVerified email at caltech.edu
