Year |
Citation |
Score |
2023 |
Yang KR, Kyro GW, Batista VS. The landscape of computational approaches for artificial photosynthesis. Nature Computational Science. 3: 504-513. PMID 38177419 DOI: 10.1038/s43588-023-00450-1 |
0.339 |
|
2023 |
Lyu N, Miano A, Tsioutsios I, Cortiñas RG, Jung K, Wang Y, Hu Z, Geva E, Kais S, Batista VS. Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors. Journal of Chemical Theory and Computation. 19: 6564-6576. PMID 37733472 DOI: 10.1021/acs.jctc.3c00620 |
0.726 |
|
2023 |
Videla PE, Foguel L, Vaccaro PH, Batista VS. Proton-Tunneling Dynamics along Low-Barrier Hydrogen Bonds: A Full-Dimensional Instanton Study of 6-Hydroxy-2-formylfulvene. The Journal of Physical Chemistry Letters. 6368-6375. PMID 37418693 DOI: 10.1021/acs.jpclett.3c01337 |
0.716 |
|
2023 |
Wang Y, Mulvihill E, Hu Z, Lyu N, Shivpuje S, Liu Y, Soley MB, Geva E, Batista VS, Kais S. Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 37233199 DOI: 10.1021/acs.jctc.3c00316 |
0.67 |
|
2023 |
Videla PE, Batista VS. Matsubara dynamics approximation for generalized multi-time correlation functions. The Journal of Chemical Physics. 158. PMID 37154285 DOI: 10.1063/5.0146654 |
0.692 |
|
2023 |
Maschietto F, Morzan UN, Tofoleanu F, Gheeraert A, Chaudhuri A, Kyro GW, Nekrasov P, Brooks B, Loria JP, Rivalta I, Batista VS. Author Correction: Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase. Nature Communications. 14: 2611. PMID 37147327 DOI: 10.1038/s41467-023-38370-3 |
0.673 |
|
2023 |
Maschietto F, Morzan UN, Tofoleanu F, Gheeraert A, Chaudhuri A, Kyro GW, Nekrasov P, Brooks B, Loria JP, Rivalta I, Batista VS. Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase. Nature Communications. 14: 2239. PMID 37076500 DOI: 10.1038/s41467-023-37956-1 |
0.708 |
|
2023 |
Videla PE, Batista VS. An exact imaginary-time path-integral phase-space formulation of multi-time correlation functions. The Journal of Chemical Physics. 158: 094101. PMID 36889944 DOI: 10.1063/5.0137898 |
0.676 |
|
2023 |
Chabeda D, Kelly HR, Holland PL, Batista VS. Small, Electron-Donating Substituents Give CO Activation by Permethylpentalene Zirconium Amido Complexes the Upper Hand: A DFT Study of Distortion and Interaction. Inorganic Chemistry. PMID 36752721 DOI: 10.1021/acs.inorgchem.2c03533 |
0.449 |
|
2023 |
Lyu N, Mulvihill E, Soley MB, Geva E, Batista VS. Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 36719350 DOI: 10.1021/acs.jctc.2c00892 |
0.68 |
|
2023 |
Gebre ST, Kiefer LM, Guo F, Yang KR, Miller C, Liu Y, Kubiak CP, Batista VS, Lian T. Amine Hole Scavengers Facilitate Both Electron and Hole Transfer in a Nanocrystal/Molecular Hybrid Photocatalyst. Journal of the American Chemical Society. PMID 36706437 DOI: 10.1021/jacs.2c13464 |
0.649 |
|
2023 |
Dong WJ, Xiao Y, Yang KR, Ye Z, Zhou P, Navid IA, Batista VS, Mi Z. Pt nanoclusters on GaN nanowires for solar-asssisted seawater hydrogen evolution. Nature Communications. 14: 179. PMID 36635289 DOI: 10.1038/s41467-023-35782-z |
0.336 |
|
2022 |
Zhao Y, Dai S, Yang KR, Cao S, Materna KL, Lant HMC, Kao LC, Feng X, Guo J, Brudvig GW, Flytzani-Stephanopoulos M, Batista VS, Pan X, Wang D. Highly stable preferential carbon monoxide oxidation by dinuclear heterogeneous catalysts. Proceedings of the National Academy of Sciences of the United States of America. 120: e2206850120. PMID 36577066 DOI: 10.1073/pnas.2206850120 |
0.34 |
|
2022 |
Miller CJ, Brunner FM, Kelly HR, Cheung PL, Torquato NA, Gembicky M, Okuno S, Chan T, Batista VS, Kubiak CP. PM-IRRAS and DFT investigation of the surface orientation of new Ir piano-stool complexes attached to Au(111). Dalton Transactions (Cambridge, England : 2003). PMID 36345597 DOI: 10.1039/d2dt02730e |
0.454 |
|
2022 |
Wang J, Shi Y, Reiss K, Maschietto F, Lolis E, Konigsberg WH, Lisi GP, Batista VS. Structural Insights into Binding of Remdesivir Triphosphate within the Replication-Transcription Complex of SARS-CoV-2. Biochemistry. PMID 36044776 DOI: 10.1021/acs.biochem.2c00341 |
0.575 |
|
2022 |
Soley MB, Videla PE, Nibbering ETJ, Batista VS. Ultrafast Charge Relocation Dynamics in Enol-Keto Tautomerization Monitored with a Local Soft-X-ray Probe. The Journal of Physical Chemistry Letters. 8254-8263. PMID 36018775 DOI: 10.1021/acs.jpclett.2c02037 |
0.722 |
|
2022 |
Bhattacharyya D, Videla PE, Palasz JM, Tangen I, Meng J, Kubiak CP, Batista VS, Lian T. Sub-Nanometer Mapping of the Interfacial Electric Field Profile Using a Vibrational Stark Shift Ruler. Journal of the American Chemical Society. 144: 14330-14338. PMID 35905473 DOI: 10.1021/jacs.2c05563 |
0.685 |
|
2022 |
Weng Z, Wu Y, Wang M, Brudvig GW, Batista VS, Liang Y, Feng Z, Wang H. Reply To: Confined molecular catalysts provide an alternative interpretation to the electrochemically reversible demetallation of copper complexes. Nature Communications. 13: 4191. PMID 35869050 DOI: 10.1038/s41467-022-31662-0 |
0.637 |
|
2022 |
Dahl PJ, Yi SM, Gu Y, Acharya A, Shipps C, Neu J, O'Brien JP, Morzan UN, Chaudhuri S, Guberman-Pfeffer MJ, Vu D, Yalcin SE, Batista VS, Malvankar NS. A 300-fold conductivity increase in microbial cytochrome nanowires due to temperature-induced restructuring of hydrogen bonding networks. Science Advances. 8: eabm7193. PMID 35544567 DOI: 10.1126/sciadv.abm7193 |
0.795 |
|
2022 |
Flesher DA, Liu J, Wiwczar JM, Reiss K, Yang KR, Wang J, Askerka M, Gisriel CJ, Batista VS, Brudvig GW. Glycerol binding at the narrow channel of photosystem II stabilizes the low-spin S state of the oxygen-evolving complex. Photosynthesis Research. PMID 35322325 DOI: 10.1007/s11120-022-00911-0 |
0.793 |
|
2022 |
Wang J, Shi Y, Reiss K, Allen B, Maschietto F, Lolis E, Konigsberg WH, Lisi GP, Batista VS. Insights into Binding of Single-Stranded Viral RNA Template to the Replication-Transcription Complex of SARS-CoV-2 for the Priming Reaction from Molecular Dynamics Simulations. Biochemistry. PMID 35199520 DOI: 10.1021/acs.biochem.1c00755 |
0.517 |
|
2022 |
Kalendra V, Reiss KM, Banerjee G, Ghosh I, Baldansuren A, Batista VS, Brudvig GW, Lakshmi KV. Binding of the substrate analog methanol in the oxygen-evolving complex of photosystem II in the D1-N87A genetic variant of cyanobacteria. Faraday Discussions. PMID 35147155 DOI: 10.1039/d1fd00094b |
0.696 |
|
2022 |
Gisriel CJ, Wang J, Liu J, Flesher DA, Reiss KM, Huang HL, Yang KR, Armstrong WH, Gunner MR, Batista VS, Debus RJ, Brudvig GW. High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, sp. PCC 6803. Proceedings of the National Academy of Sciences of the United States of America. 119. PMID 34937700 DOI: 10.1073/pnas.2116765118 |
0.63 |
|
2021 |
Gisriel CJ, Huang HL, Reiss K, Flesher DA, Batista VS, Bryant DA, Brudvig GW, Wang J. Corrigendum to Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light BBA Advances 1 (2021) 100019. Bba Advances. 1: 100024. PMID 37206888 DOI: 10.1016/j.bbadva.2021.100024 |
0.505 |
|
2021 |
Gisriel CJ, Huang HL, Reiss KM, Flesher DA, Batista VS, Bryant DA, Brudvig GW, Wang J. Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light. Bba Advances. 1: 100019. PMID 37082022 DOI: 10.1016/j.bbadva.2021.100019 |
0.554 |
|
2021 |
Nierzwicki L, East KW, Morzan UN, Arantes PR, Batista VS, Lisi GP, Palermo G. Enhanced specificity mutations perturb allosteric signaling in CRISPR-Cas9. Elife. 10. PMID 34908530 DOI: 10.7554/eLife.73601 |
0.7 |
|
2021 |
Tomanik M, Xu Z, Guo F, Wang Z, Yang KR, Batista VS, Herzon SB. Development of an Enantioselective Synthesis of (-)-Euonyminol. The Journal of Organic Chemistry. PMID 34784213 DOI: 10.1021/acs.joc.1c02167 |
0.611 |
|
2021 |
Wang J, Gisriel CJ, Reiss K, Huang HL, Armstrong WH, Brudvig GW, Batista VS. Heterogeneous Composition of Oxygen-Evolving Complexes in Crystal Structures of Dark-Adapted Photosystem II. Biochemistry. PMID 34714055 DOI: 10.1021/acs.biochem.1c00611 |
0.586 |
|
2021 |
Cody CC, Kelly HR, Mercado BQ, Batista VS, Crabtree RH, Brudvig GW. Distorted Copper(II) Complex with Unusually Short CF···Cu Distances. Inorganic Chemistry. PMID 34546058 DOI: 10.1021/acs.inorgchem.1c01958 |
0.424 |
|
2021 |
Wang J, Maschietto F, Guberman-Pfeffer MJ, Reiss K, Allen B, Xiong Y, Lolis E, Batista VS. Computational insights into the membrane fusion mechanism of SARS-CoV-2 at the cellular level. Computational and Structural Biotechnology Journal. 19: 5019-5028. PMID 34540146 DOI: 10.1016/j.csbj.2021.08.053 |
0.52 |
|
2021 |
Chen E, Reiss K, Shah D, Manjula R, Allen B, Murphy EL, Murphy JW, Batista VS, Bhandari V, Lolis EJ, Lisi GP. A Structurally Preserved Allosteric Site in the MIF Superfamily Affects Enzymatic Activity and CD74 Activation in D-dopachrome Tautomerase. The Journal of Biological Chemistry. 101061. PMID 34384784 DOI: 10.1016/j.jbc.2021.101061 |
0.565 |
|
2021 |
Bhattacharyya D, Videla PE, Cattaneo M, Batista VS, Lian T, Kubiak CP. Vibrational Stark shift spectroscopy of catalysts under the influence of electric fields at electrode-solution interfaces. Chemical Science. 12: 10131-10149. PMID 34377403 DOI: 10.1039/d1sc01876k |
0.702 |
|
2021 |
Wang J, Reiss K, Shi Y, Lolis E, Lisi GP, Batista VS. Mechanism of Inhibition of the Reproduction of SARS-CoV-2 and Viruses by Remdesivir. Biochemistry. PMID 34110129 DOI: 10.1021/acs.biochem.1c00292 |
0.501 |
|
2021 |
Yang KR, Lakshmi KV, Brudvig GW, Batista VS. Is Deprotonation of the Oxygen-Evolving Complex of Photosystem II during the S → S Transition Suppressed by Proton Quantum Delocalization? Journal of the American Chemical Society. PMID 34029102 DOI: 10.1021/jacs.1c00633 |
0.612 |
|
2021 |
Kaur D, Zhang Y, Reiss KM, Mandal M, Brudvig GW, Batista VS, Gunner MR. Proton exit pathways surrounding the oxygen evolving complex of photosystem II. Biochimica Et Biophysica Acta. Bioenergetics. 1862: 148446. PMID 33964279 DOI: 10.1016/j.bbabio.2021.148446 |
0.57 |
|
2021 |
Shipps C, Kelly HR, Dahl PJ, Yi SM, Vu D, Boyer D, Glynn C, Sawaya MR, Eisenberg D, Batista VS, Malvankar NS. Intrinsic electronic conductivity of individual atomically resolved amyloid crystals reveals micrometer-long hole hopping via tyrosines. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33372136 DOI: 10.1073/pnas.2014139118 |
0.463 |
|
2020 |
Pattengale B, Freeze JG, Guberman-Pfeffer MJ, Okabe R, Ostresh S, Chaudhuri S, Batista VS, Schmuttenmaer CA. A conductive metal-organic framework photoanode. Chemical Science. 11: 9593-9603. PMID 34094225 DOI: 10.1039/d0sc04302h |
0.805 |
|
2020 |
Jung KA, Videla PE, Batista VS. Ring-polymer, centroid, and mean-field approximations to multi-time Matsubara dynamics. The Journal of Chemical Physics. 153: 124112. PMID 33003707 DOI: 10.1063/5.0021843 |
0.778 |
|
2020 |
He Y, Guo F, Yang KR, Heinlein JA, Bamonte SM, Fee JJ, Hu S, Suib SL, Haller GL, Batista VS, Pfefferle LD. In situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study. Journal of the American Chemical Society. PMID 32935987 DOI: 10.1021/Jacs.0C07179 |
0.743 |
|
2020 |
Ghosh I, Banerjee G, Reiss K, Kim CJ, Debus RJ, Batista VS, Brudvig GW. D1-S169A substitution of photosystem II reveals a novel S-state structure. Biochimica Et Biophysica Acta. Bioenergetics. 148301. PMID 32860756 DOI: 10.1016/J.Bbabio.2020.148301 |
0.618 |
|
2020 |
Yalcin SE, O'Brien JP, Gu Y, Reiss K, Yi SM, Jain R, Srikanth V, Dahl PJ, Huynh W, Vu D, Acharya A, Chaudhuri S, Varga T, Batista VS, Malvankar NS. Electric field stimulates production of highly conductive microbial OmcZ nanowires. Nature Chemical Biology. PMID 32807967 DOI: 10.1038/S41589-020-0623-9 |
0.76 |
|
2020 |
Hu G, Jiang JJ, Kelly HR, Matula AJ, Wu Y, Romano N, Mercado BQ, Wang H, Batista VS, Crabtree RH, Brudvig GW. Surprisingly big linker-dependence of activity and selectivity in CO reduction by an iridium(i) pincer complex. Chemical Communications (Cambridge, England). 56: 9126-9129. PMID 32779668 DOI: 10.1039/D0Cc03207G |
0.783 |
|
2020 |
Tong Z, Videla PE, Jung KA, Batista VS, Sun X. Two-dimensional Raman spectroscopy of Lennard-Jones liquids via ring-polymer molecular dynamics. The Journal of Chemical Physics. 153: 034117. PMID 32716164 DOI: 10.1063/5.0015436 |
0.789 |
|
2020 |
Morzan UN, Videla PE, Soley MB, Nibbering ETJ, Batista VS. Vibronic Dynamics of Photodissociating ICN from Simulations of Ultrafast X-Ray Absorption Spectroscopy. Angewandte Chemie (International Ed. in English). PMID 32691867 DOI: 10.1002/Anie.202007192 |
0.789 |
|
2020 |
Wang J, Perez-Cruet JM, Huang HL, Reiss K, Gisriel CJ, Banerjee G, Kaur D, Ghosh I, Dziarski A, Gunner MR, Batista VS, Brudvig GW. Identification of a Na+-Binding Site Near the Oxygen-Evolving Complex of Spinach Photosystem II. Biochemistry. PMID 32650633 DOI: 10.1021/Acs.Biochem.0C00303 |
0.598 |
|
2020 |
Montgomery MJ, Sugak NV, Yang KR, Rogers JM, Kube SA, Ratinov AC, Schroers J, Batista VS, Pfefferle LD. Semiconductor-to-conductor transition in 2D copper(ii) oxide nanosheets through surface sulfur-functionalization. Nanoscale. PMID 32613999 DOI: 10.1039/D0Nr02208J |
0.625 |
|
2020 |
Acharya A, Stockmann J, Beyer L, Rudack T, Nabers A, Gumbart JC, Gerwert K, Batista VS. The Effect of (-)-Epigallocatechin-3-Gallate on the Amyloid-β Secondary Structure. Biophysical Journal. PMID 32579965 DOI: 10.1016/J.Bpj.2020.05.033 |
0.692 |
|
2020 |
Pantouris G, Khurana L, Ma A, Skeens E, Reiss K, Batista VS, Lisi GP, Lolis EJ. Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel. Cell Chemical Biology. PMID 32433911 DOI: 10.1016/J.Chembiol.2020.05.001 |
0.596 |
|
2020 |
Beaumont V, Reiss K, Qu Z, Allen B, Batista VS, Loria JP. The allosteric impact of the variable insert loop in Vaccinia H1-related (VHR) phosphatase. Biochemistry. PMID 32348128 DOI: 10.1021/Acs.Biochem.0C00245 |
0.591 |
|
2020 |
Zarrabi N, Seetharaman S, Chaudhuri S, Holzer N, Batista VS, van der Est A, D'Souza F, Poddutoori PK. Decelerating Charge Recombination Using Fluorinated Porphyrins in N,N-bis(3,4,5-trimethoxyphenyl)aniline - Aluminum(III) Porphyrin - Fullerene Reaction Center Models. Journal of the American Chemical Society. PMID 32343561 DOI: 10.1021/Jacs.0C01574 |
0.524 |
|
2020 |
Reiss K, Batista VS, Loria JP. Allosteric Control of Enzyme Activity: From Ancient Origins to Recent Gene-Editing Technologies. Biochemistry. PMID 32324383 DOI: 10.1021/Acs.Biochem.0C00275 |
0.543 |
|
2020 |
Cattaneo M, Guo F, Kelly HR, Videla PE, Kiefer L, Gebre S, Ge A, Liu Q, Wu S, Lian T, Batista VS. Robust Binding of Disulfide-Substituted Rhenium Bipyridyl Complexes for CO Reduction on Gold Electrodes. Frontiers in Chemistry. 8: 86. PMID 32117901 DOI: 10.3389/Fchem.2020.00086 |
0.807 |
|
2020 |
Wang CS, Curtis JC, Lester BJ, Zhang Y, Gao YY, Freeze J, Batista VS, Vaccaro PH, Chuang IL, Frunzio L, Jiang L, Girvin S, Schoelkopf RJ. Efficient Multiphoton Sampling of Molecular Vibronic Spectra on a Superconducting Bosonic Processor Physical Review X. 10. DOI: 10.1103/Physrevx.10.021060 |
0.789 |
|
2020 |
Pattengale B, Freeze JG, Guberman-Pfeffer MJ, Okabe R, Ostresh S, Chaudhuri S, Batista VS, Schmuttenmaer CA. A conductive metal–organic framework photoanode Chemical Science. 11: 9593-9603. DOI: 10.1039/D0Sc04302H |
0.77 |
|
2020 |
Acharya A, Stockmann J, Beyer L, Nabers A, Gerwert K, Gumbart JC, Batista VS. The Effect of (-)-Epigallocatechin-3-Gallate on the Aβ Secondary Structure Biophysical Journal. 118: 47a. DOI: 10.1016/J.Bpj.2019.11.437 |
0.664 |
|
2020 |
Lakshmi K, Kalendra V, Banerjee G, Ghosh I, Yang K, Batista VS, Brudvig GW. The Mechanism of Substrate Delivery and Activation in the Solar Water Oxidation Reaction of Photosystem II Biophysical Journal. 118: 610a. DOI: 10.1016/J.Bpj.2019.11.3292 |
0.594 |
|
2019 |
East KW, Newton JC, Morzan UN, Narkhede Y, Acharya A, Skeens E, Jogl G, Batista VS, Palermo G, Lisi GP. Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. Journal of the American Chemical Society. PMID 31885264 DOI: 10.2210/Pdb6O56/Pdb |
0.783 |
|
2019 |
East KW, Skeens E, Cui JY, Belato HB, Mitchell B, Hsu R, Batista VS, Palermo G, Lisi GP. NMR and computational methods for molecular resolution of allosteric pathways in enzyme complexes. Biophysical Reviews. PMID 31838649 DOI: 10.1007/S12551-019-00609-Z |
0.341 |
|
2019 |
Mesa CA, Francàs L, Yang KR, Garrido-Barros P, Pastor E, Ma Y, Kafizas A, Rosser TE, Mayer MT, Reisner E, Grätzel M, Batista VS, Durrant JR. Multihole water oxidation catalysis on haematite photoanodes revealed by operando spectroelectrochemistry and DFT. Nature Chemistry. PMID 31636394 DOI: 10.1038/S41557-019-0347-1 |
0.465 |
|
2019 |
Amin M, Kaur D, Yang KR, Wang J, Mohamed Z, Brudvig GW, Gunner MR, Batista V. Thermodynamics of the S-to-S state transition of the oxygen-evolving complex of photosystem II. Physical Chemistry Chemical Physics : Pccp. PMID 31517382 DOI: 10.1039/C9Cp02308A |
0.461 |
|
2019 |
He Y, Yang KR, Yu Z, Fishman ZS, Achola LA, Tobin ZM, Heinlein JA, Hu S, Suib SL, Batista VS, Pfefferle LD. Catalytic manganese oxide nanostructures for the reverse water gas shift reaction. Nanoscale. PMID 31461104 DOI: 10.1039/C9Nr06078B |
0.62 |
|
2019 |
Haag F, Ahmed L, Reiss K, Block E, Batista VS, Krautwurst D. Copper-mediated thiol potentiation and mutagenesis-guided modeling suggest a highly conserved copper-binding motif in human OR2M3. Cellular and Molecular Life Sciences : Cmls. PMID 31435697 DOI: 10.1007/S00018-019-03279-Y |
0.704 |
|
2019 |
Chang AM, Freeze JG, Batista VS. Hammett neural networks: prediction of frontier orbital energies of tungsten-benzylidyne photoredox complexes. Chemical Science. 10: 6844-6854. PMID 31391907 DOI: 10.1039/C9Sc02339A |
0.787 |
|
2019 |
Jung KA, Videla PE, Batista VS. Multi-time formulation of Matsubara dynamics. The Journal of Chemical Physics. 151: 034108. PMID 31325942 DOI: 10.1063/1.5110427 |
0.782 |
|
2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The Periodic Table. The Journal of Physical Chemistry. A. 123: 5837-5848. PMID 31315402 DOI: 10.1021/Acs.Jpca.9B03461 |
0.338 |
|
2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The Periodic Table. The Journal of Physical Chemistry. B. 123: 5973-5984. PMID 31315401 DOI: 10.1021/Acs.Jpcb.9B03463 |
0.338 |
|
2019 |
Perets EA, Videla PE, Yan ECY, Batista VS. Chiral Inversion of Amino Acids in Anti-Parallel β-Sheets at Interfaces Probed by Vibrational Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry. B. PMID 31194546 DOI: 10.1021/Acs.Jpcb.9B04029 |
0.704 |
|
2019 |
Freeze JG, Kelly HR, Batista VS. Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists. Chemical Reviews. PMID 31059236 DOI: 10.1021/Acs.Chemrev.8B00759 |
0.779 |
|
2019 |
Ge A, Rudshteyn B, Videla PE, Miller CJ, Kubiak CP, Batista VS, Lian T. Heterogenized Molecular Catalysts: Vibrational Sum-Frequency Spectroscopic, Electrochemical, and Theoretical Investigations. Accounts of Chemical Research. PMID 31056907 DOI: 10.1021/Acs.Accounts.9B00001 |
0.799 |
|
2019 |
Chaudhuri S, Acharya A, Nibbering ETJ, Batista VS. Regioselective Ultrafast Photoinduced Electron Transfer from Naphthols to Halocarbon Solvents. The Journal of Physical Chemistry Letters. PMID 31051077 DOI: 10.1021/Acs.Jpclett.9B00410 |
0.697 |
|
2019 |
Kaur D, Szejgis W, Mao J, Amin M, Reiss KM, Askerka M, Cai X, Khaniya U, Zhang Y, Brudvig GW, Batista VS, Gunner MR. Relative stability of the S isomers of the oxygen evolving complex of photosystem II. Photosynthesis Research. PMID 30941614 DOI: 10.1007/S11120-019-00637-6 |
0.788 |
|
2019 |
Spies JA, Perets EA, Fisher KJ, Rudshteyn B, Batista VS, Brudvig GW, Schmuttenmaer CA. Collaboration between experiment and theory in solar fuels research. Chemical Society Reviews. PMID 30869084 DOI: 10.1039/C8Cs00819A |
0.686 |
|
2019 |
Ghosh I, Banerjee G, Kim CJ, Reiss K, Batista VS, Debus RJ, Brudvig GW. D1-S169A Substitution of Photosystem II Perturbs Water Oxidation. Biochemistry. PMID 30707571 DOI: 10.1021/Acs.Biochem.8B01184 |
0.605 |
|
2019 |
Lee SH, Matula AJ, Hu G, Troiano J, Karpovich C, Crabtree RH, Batista VS, Brudvig GW. Strongly Coupled Phenazine-Porphyrin Dyads: Light-Harvesting Molecular Assemblies with Broad Absorption Coverage. Acs Applied Materials & Interfaces. PMID 30698407 DOI: 10.1021/Acsami.8B20996 |
0.792 |
|
2019 |
Reiss K, Morzan U, Grigas A, Batista V. Water Network Dynamics Next to the Oxygen-Evolving Complex of Photosystem II Inorganics. 7: 39. DOI: 10.3390/inorganics7030039 |
0.781 |
|
2019 |
Schatz GC, McCoy AB, Shea J, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The JPC Periodic Table The Journal of Physical Chemistry C. 123: 17063-17074. DOI: 10.1021/Acs.Jpcc.9B03462 |
0.338 |
|
2019 |
Oliboni RS, Yan H, Fan H, Abraham B, Avenoso JP, Galoppini E, Batista VS, Gundlach L, Rego LGC. Vibronic Effects in the Ultrafast Interfacial Electron Transfer of Perylene-Sensitized TiO2 Surfaces Journal of Physical Chemistry C. 123: 12599-12607. DOI: 10.1021/Acs.Jpcc.9B02106 |
0.38 |
|
2019 |
Martinez JF, La Porte NT, Chaudhuri S, Sinopoli A, Bae YJ, Sohail M, Batista VS, Wasielewski MR. Effect of Electronic Coupling on Electron Transfer Rates from Photoexcited Naphthalenediimide Radical Anion to Re(bpy)(CO)3X The Journal of Physical Chemistry C. 123: 10178-10190. DOI: 10.1021/Acs.Jpcc.8B12264 |
0.507 |
|
2018 |
Palermo G, Chen JS, Ricci CG, Rivalta I, Jinek M, Batista VS, Doudna JA, McCammon JA. Key role of the REC lobe during CRISPR-Cas9 activation by 'sensing', 'regulating', and 'locking' the catalytic HNH domain. Quarterly Reviews of Biophysics. 51. PMID 30555184 DOI: 10.1017/S0033583518000070 |
0.303 |
|
2018 |
Negre CFA, Morzan UN, Hendrickson HP, Pal R, Lisi GP, Loria JP, Rivalta I, Ho J, Batista VS. Eigenvector centrality for characterization of protein allosteric pathways. Proceedings of the National Academy of Sciences of the United States of America. PMID 30530700 DOI: 10.1073/Pnas.1810452115 |
0.788 |
|
2018 |
Chang AM, Rudshteyn B, Warnke I, Batista VS. Inverse Design of a Catalyst for Aqueous CO/CO Conversion Informed by the Ni-Iminothiolate Complex. Inorganic Chemistry. PMID 30481007 DOI: 10.1021/Acs.Inorgchem.8B02799 |
0.703 |
|
2018 |
Clark ML, Ge A, Videla PE, Rudshteyn B, Miller CJ, Song J, Batista VS, Lian T, Kubiak CP. CO2 Reduction Catalysts on Gold Electrode Surfaces Influenced by Large Electric Fields. Journal of the American Chemical Society. PMID 30468391 DOI: 10.1021/Jacs.8B09852 |
0.796 |
|
2018 |
Knecht KM, Buzovetsky O, Schneider C, Thomas D, Srikanth V, Kaderali L, Tofoleanu F, Reiss K, Ferreirós N, Geisslinger G, Batista VS, Ji X, Cinatl J, Keppler OT, Xiong Y. The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proceedings of the National Academy of Sciences of the United States of America. PMID 30305425 DOI: 10.1073/Pnas.1805593115 |
0.572 |
|
2018 |
Zhao Y, Yan X, Yang KR, Cao S, Dong Q, Thorne JE, Materna KL, Zhu S, Pan X, Flytzani-Stephanopoulos M, Brudvig GW, Batista VS, Wang D. End-On Bound Iridium Dinuclear Heterogeneous Catalysts on WO for Solar Water Oxidation. Acs Central Science. 4: 1166-1172. PMID 30276249 DOI: 10.1021/Acscentsci.8B00335 |
0.459 |
|
2018 |
Wang J, Reiss K, Brudvig GW, Batista VS. Reduced occupancy of the oxygen-evolving complex of photosystem II detected in cryo-electron microscopy maps. Biochemistry. PMID 30260634 DOI: 10.1021/Acs.Biochem.8B00609 |
0.613 |
|
2018 |
Swierk JR, McCool NS, Röhr JA, Hedström S, Konezny SJ, Nemes CT, Xu P, Batista VS, Mallouk TE, Schmuttenmaer CA. Ultrafast proton-assisted tunneling through ZrO in dye-sensitized SnO-core/ZrO-shell films. Chemical Communications (Cambridge, England). PMID 29961797 DOI: 10.1039/C8Cc04189J |
0.309 |
|
2018 |
Jung KA, Videla PE, Batista VS. Inclusion of nuclear quantum effects for simulations of nonlinear spectroscopy. The Journal of Chemical Physics. 148: 244105. PMID 29960352 DOI: 10.1063/1.5036768 |
0.789 |
|
2018 |
Matheu R, Ghaderian A, Francas L, Chernev P, Ertem M, Benet-Buchholz J, Batista V, Haumann M, Gimbert-Suriñach C, Sala X, Llobet A. The Behavior of the Ru-bda Water Oxidation Catalysts at Low Oxidation States. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29897655 DOI: 10.1002/Chem.201801236 |
0.651 |
|
2018 |
Li W, Yang KR, Yao X, He Y, Dong Q, Brudvig GW, Batista VS, Wang D. Facet-Dependent Kinetics and Energetics of Hematite for Solar Water Oxidation Reactions. Acs Applied Materials & Interfaces. PMID 29792412 DOI: 10.1021/Acsami.8B05190 |
0.465 |
|
2018 |
Pantouris G, Ho J, Shah D, Syed MA, Leng L, Bhandari V, Bucala R, Batista VS, Loria JP, Lolis E. Nanosecond Dynamics Regulate the MIF-Induced Activity of CD74. Angewandte Chemie (International Ed. in English). PMID 29669180 DOI: 10.2210/Pdb6Bg6/Pdb |
0.607 |
|
2018 |
Zhang R, Pan Y, Ahmed L, Block E, Zhang Y, Batista VS, Zhuang H. A Multispecific Investigation of the Metal Effect in Mammalian Odorant Receptors for Sulfur-containing Compounds. Chemical Senses. PMID 29659735 DOI: 10.1093/Chemse/Bjy022 |
0.582 |
|
2018 |
Ahmed L, Zhang Y, Block E, Buehl M, Corr MJ, Cormanich RA, Gundala S, Matsunami H, O'Hagan D, Ozbil M, Pan Y, Sekharan S, Ten N, Wang M, Yang M, ... ... Batista VS, et al. Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by ()-muscone and diverse other musk-smelling compounds. Proceedings of the National Academy of Sciences of the United States of America. PMID 29632183 DOI: 10.1073/Pnas.1713026115 |
0.789 |
|
2018 |
Christensen JA, Phelan BT, Chaudhuri S, Acharya A, Batista VS, Wasielewski MR. Phenothiazine Radical Cation Excited States as Super-oxidants for Energy Demanding Reactions. Journal of the American Chemical Society. PMID 29589754 DOI: 10.1021/Jacs.8B01778 |
0.68 |
|
2018 |
Liu MT, Ho J, Liu JK, Purakait R, Morzan UN, Ahmed L, Batista VS, Matsunami H, Ryan K. Carbon chain shape selectivity by the mouse olfactory receptor OR-I7. Organic & Biomolecular Chemistry. PMID 29569669 DOI: 10.1039/C8Ob00205C |
0.771 |
|
2018 |
Zhao Y, Yang KR, Wang Z, Yan X, Cao S, Ye Y, Dong Q, Zhang X, Thorne JE, Jin L, Materna KL, Trimpalis A, Bai H, Fakra SC, Zhong X, ... ... Batista VS, et al. Stable iridium dinuclear heterogeneous catalysts supported on metal-oxide substrate for solar water oxidation. Proceedings of the National Academy of Sciences of the United States of America. PMID 29507243 DOI: 10.1073/Pnas.1722137115 |
0.448 |
|
2018 |
Han N, Yang KR, Lu Z, Li Y, Xu W, Gao T, Cai Z, Zhang Y, Batista VS, Liu W, Sun X. Nitrogen-doped tungsten carbide nanoarray as an efficient bifunctional electrocatalyst for water splitting in acid. Nature Communications. 9: 924. PMID 29500361 DOI: 10.1038/S41467-018-03429-Z |
0.442 |
|
2018 |
Mandal L, Yang KR, Motapothula MR, Ren D, Lobaccaro P, Patra A, Sherburne M, Batista VS, Yeo BS, Ager JW, Martin J, Venkatesan T. Investigating the Role of Copper Oxide in Electrochemical CO2 Reduction in Real Time. Acs Applied Materials & Interfaces. PMID 29437377 DOI: 10.1021/Acsami.7B15418 |
0.445 |
|
2018 |
Videla PE, Markmann A, Batista VS. Floquet study of quantum control of the cis-trans photoisomerization of rhodopsin. Journal of Chemical Theory and Computation. PMID 29425032 DOI: 10.1021/Acs.Jctc.7B01217 |
0.722 |
|
2018 |
Weng Z, Wu Y, Wang M, Jiang J, Yang K, Huo S, Wang XF, Ma Q, Brudvig GW, Batista VS, Liang Y, Feng Z, Wang H. Active sites of copper-complex catalytic materials for electrochemical carbon dioxide reduction. Nature Communications. 9: 415. PMID 29379087 DOI: 10.1038/S41467-018-02819-7 |
0.707 |
|
2018 |
Acharya A, Chaudhuri S, Batista VS. Can TDDFT Describe Excited Electronic States of Naphthol Photoacids? A Closer Look with EOM-CCSD. Journal of Chemical Theory and Computation. PMID 29298059 DOI: 10.1021/Acs.Jctc.7B01101 |
0.687 |
|
2018 |
He Y, Fishman ZS, Yang KR, Ortiz B, Liu C, Goldsamt J, Batista VS, Pfefferle LD. Hydrophobic CuO Nanosheets Functionalized with Organic Adsorbates. Journal of the American Chemical Society. PMID 29298055 DOI: 10.1021/Jacs.7B11654 |
0.612 |
|
2018 |
Bé AG, Chase HM, Liu Y, Upshur MA, Zhang Y, Tuladhar A, Chase ZA, Bellcross AD, Wang H, Wang Z, Batista VS, Martin ST, Thomson RJ, Geiger FM. Atmospheric β-Caryophyllene-Derived Ozonolysis Products at Interfaces Acs Earth and Space Chemistry. 3: 158-169. DOI: 10.1021/Acsearthspacechem.8B00156 |
0.555 |
|
2018 |
Jiang J, Matula AJ, Swierk JR, Romano N, Wu Y, Batista VS, Crabtree RH, Lindsey JS, Wang H, Brudvig GW. Unusual Stability of a Bacteriochlorin Electrocatalyst under Reductive Conditions. A Case Study on CO2 Conversion to CO Acs Catalysis. 8: 10131-10136. DOI: 10.1021/Acscatal.8B02991 |
0.766 |
|
2018 |
Rudshteyn B, Fisher KJ, Lant HMC, Yang KR, Mercado BQ, Brudvig GW, Crabtree RH, Batista VS. Water-Nucleophilic Attack Mechanism for the CuII(pyalk)2Water-Oxidation Catalyst Acs Catalysis. 8: 7952-7960. DOI: 10.1021/Acscatal.8B02466 |
0.74 |
|
2018 |
Zarrabi N, Agatemor C, Lim GN, Matula AJ, Bayard BJ, Batista VS, D’Souza F, Poddutoori PK. High-Energy Charge-Separated States by Reductive Electron Transfer Followed by Electron Shift in the Tetraphenylethylene–Aluminum(III) Porphyrin–Fullerene Triad The Journal of Physical Chemistry C. 123: 131-143. DOI: 10.1021/Acs.Jpcc.8B09500 |
0.789 |
|
2018 |
Vanselous H, Videla PE, Batista VS, Petersen PB. Distinct Binding of Rhenium Catalysts on Nanostructured and Single-Crystalline TiO2Surfaces Revealed by Two-Dimensional Sum Frequency Generation Spectroscopy The Journal of Physical Chemistry C. 122: 26018-26031. DOI: 10.1021/Acs.Jpcc.8B08423 |
0.739 |
|
2018 |
Ge A, Videla PE, Rudshteyn B, Liu Q, Batista VS, Lian T. Dopant-Dependent SFG Response of Rhenium CO2 Reduction Catalysts Chemisorbed on SrTiO3 (100) Single Crystals The Journal of Physical Chemistry C. 122: 13944-13952. DOI: 10.1021/Acs.Jpcc.8B01123 |
0.799 |
|
2018 |
Jiang J, Spies JA, Swierk JR, Matula AJ, Regan KP, Romano N, Brennan BJ, Crabtree RH, Batista VS, Schmuttenmaer CA, Brudvig GW. Direct Interfacial Electron Transfer from High-Potential Porphyrins into Semiconductor Surfaces: A Comparison of Linkers and Anchoring Groups The Journal of Physical Chemistry C. 122: 13529-13539. DOI: 10.1021/Acs.Jpcc.7B12405 |
0.804 |
|
2018 |
La Porte NT, Martinez JF, Chaudhuri S, Hedström S, Batista VS, Wasielewski MR. Photoexcited radical anion super-reductants for solar fuels catalysis Coordination Chemistry Reviews. 361: 98-119. DOI: 10.1016/J.Ccr.2018.01.018 |
0.539 |
|
2018 |
Matheu R, Ghaderian A, Francàs L, Chernev P, Ertem MZ, Benet-Buchholz J, Batista VS, Haumann M, Gimbert-Suriñach C, Sala X, Llobet A. Cover Feature: Behavior of Ru-bda Water-Oxidation Catalysts in Low Oxidation States (Chem. Eur. J. 49/2018) Chemistry - a European Journal. 24: 12736-12736. DOI: 10.1002/Chem.201803661 |
0.631 |
|
2017 |
Rudshteyn B, Acharya A, Batista VS. Is the Supporting Information the Venue for Reproducibility and Transparency? The Journal of Physical Chemistry. B. 121: 11425-11426. PMID 29281888 DOI: 10.1021/Acs.Jpcb.7B11664 |
0.734 |
|
2017 |
Rudshteyn B, Acharya A, Batista VS. Is the Supporting Information the Venue for Reproducibility and Transparency? The Journal of Physical Chemistry. A. 121: 9680-9681. PMID 29281886 DOI: 10.1021/acs.jpca.7b11663 |
0.72 |
|
2017 |
Goswami S, Matula AJ, Rath SP, Hedström S, Saha S, Annamalai M, Sengupta D, Patra A, Ghosh S, Jani H, Sarkar S, Motapothula MR, Nijhuis CA, Martin J, Goswami S, ... Batista VS, et al. Corrigendum: Robust resistive memory devices using solution-processable metal-coordinated azo aromatics. Nature Materials. 17: 103. PMID 29255223 DOI: 10.1038/Nmat5059 |
0.758 |
|
2017 |
Ge A, Rudshteyn B, Zhu J, Maurer RJ, Batista VS, Lian T. Electron-Hole-Pair-Induced Vibrational Energy Relaxation of Rhenium Catalysts on Gold Surfaces. The Journal of Physical Chemistry Letters. PMID 29227669 DOI: 10.1021/Acs.Jpclett.7B02885 |
0.724 |
|
2017 |
Mandal M, Askerka M, Banerjee G, Amin M, Brudvig GW, Batista VS, Gunner MR. Characterization of ammonia binding to the second coordination shell of the oxygen-evolving complex of photosystem II. Dalton Transactions (Cambridge, England : 2003). PMID 29120469 DOI: 10.1039/C7Dt03901H |
0.735 |
|
2017 |
Chaudhuri S, Hedström S, Méndez-Hernández DD, Hendrickson HP, Jung KA, Ho J, Batista VS. Electron Transfer Assisted by Vibronic Coupling from Multiple Modes. Journal of Chemical Theory and Computation. PMID 29095611 DOI: 10.1021/Acs.Jctc.7B00513 |
0.787 |
|
2017 |
Hedström S, Chaudhuri S, La Porte N, Rudshteyn B, Martinez JF, Wasielewski MR, Batista VS. Thousandfold Enhancement of Photoreduction Lifetime in Re(bpy)(CO)3 via Spin-dependent Electron Transfer from a Perylene-diimide Radical Anion Donor. Journal of the American Chemical Society. PMID 29083146 DOI: 10.1021/Jacs.7B09438 |
0.746 |
|
2017 |
Goswami S, Matula AJ, Rath SP, Hedström S, Saha S, Annamalai M, Sengupta D, Patra A, Ghosh S, Jani H, Sarkar S, Motapothula MR, Nijhuis CA, Martin J, Goswami S, ... Batista VS, et al. Robust resistive memory devices using solution-processable metal-coordinated azo aromatics. Nature Materials. PMID 29058729 DOI: 10.1038/Nmat5009 |
0.769 |
|
2017 |
Wang J, Askerka M, Brudvig GW, Batista VS. Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II. Acs Energy Letters. 2: 2299-2306. PMID 29057331 DOI: 10.1021/Acsenergylett.7B00750 |
0.752 |
|
2017 |
Askerka M, Maurer RJ, Batista VS, Tully JC. Erratum: Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces [Phys. Rev. Lett. 116, 217601 (2016)]. Physical Review Letters. 119: 069901. PMID 28949608 DOI: 10.1103/Physrevlett.119.069901 |
0.764 |
|
2017 |
Amin M, Askerka M, Batista VS, Brudvig GW, Gunner MR. XFEL Radiation Damage Through the S-State Cycle of the Oxygen-Evolving Complex of Photosystem II. The Journal of Physical Chemistry. B. PMID 28915048 DOI: 10.1021/Acs.Jpcb.7B08371 |
0.733 |
|
2017 |
Garrido-Barros P, Gimbert-Suriñach C, Moonshiram D, Picón A, Monge P, Batista VS, Llobet A. Electronic π-delocalization Boosts Catalytic Water Oxidation by Cu(II) Molecular Catalysts Heterogenized on Graphene Sheets. Journal of the American Chemical Society. PMID 28853285 DOI: 10.1021/Jacs.7B06828 |
0.321 |
|
2017 |
Fishman ZS, He Y, Yang KR, Lounsbury AW, Zhu J, Tran TM, Zimmerman JB, Batista VS, Pfefferle LD. Hard templating ultrathin polycrystalline hematite nanosheets: effect of nano-dimension on CO2 to CO conversion via the reverse water-gas shift reaction. Nanoscale. PMID 28832044 DOI: 10.1039/C7Nr03522E |
0.612 |
|
2017 |
Palermo G, G Ricci C, Fernando A, Basak R, Jinek M, Rivalta I, Batista VS, McCammon JA. PAM-induced allostery activates CRISPR-Cas9. Journal of the American Chemical Society. PMID 28764328 DOI: 10.1021/Jacs.7B05313 |
0.581 |
|
2017 |
Ho J, Kish E, Méndez-Hernández DD, WongCarter K, Pillai S, Kodis G, Niklas J, Poluektov OG, Gust D, Moore TA, Moore AL, Batista VS, Robert B. Triplet-triplet energy transfer in artificial and natural photosynthetic antennas. Proceedings of the National Academy of Sciences of the United States of America. PMID 28652359 DOI: 10.1073/Pnas.1614857114 |
0.796 |
|
2017 |
Jiang J, Materna K, Hedström S, Yang K, Crabtree R, Batista V, Brudvig G. Molecular Antimony Complexes for Electrocatalysis: Activity of a Main Group Element in Proton Reduction. Angewandte Chemie (International Ed. in English). PMID 28628943 DOI: 10.1002/Anie.201704700 |
0.458 |
|
2017 |
Guo Y, Hendrickson HP, Videla PE, Chen YN, Ho J, Sekharan S, Batista VS, Tully JC, Yan ECY. Probing the remarkable thermal kinetics of visual rhodopsin with E181Q and S186A mutants. The Journal of Chemical Physics. 146: 215104. PMID 28595408 DOI: 10.1063/1.4984818 |
0.777 |
|
2017 |
La Porte NT, Martinez JF, Hedström S, Rudshteyn B, Phelan BT, Mauck CM, Young RM, Batista VS, Wasielewski MR. Photoinduced electron transfer from rylenediimide radical anions and dianions to Re(bpy)(CO)3 using red and near-infrared light. Chemical Science. 8: 3821-3831. PMID 28580115 DOI: 10.1039/C6Sc05103K |
0.721 |
|
2017 |
Wang J, Videla PE, Batista VS. Effects of aligned α-helix peptide dipoles on experimental electrostatic potentials. Protein Science : a Publication of the Protein Society. PMID 28556371 DOI: 10.1002/Pro.3204 |
0.707 |
|
2017 |
Block E, Batista VS, Matsunami H, Zhuang H, Ahmed L. The role of metals in mammalian olfaction of low molecular weight organosulfur compounds. Natural Product Reports. PMID 28471462 DOI: 10.1039/C7Np00016B |
0.598 |
|
2017 |
Shopov DY, Rudshteyn B, Campos J, Vinyard DJ, Batista VS, Brudvig GW, Crabtree RH. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical Science. 8: 1642-1652. PMID 28451293 DOI: 10.1039/C6Sc03758E |
0.709 |
|
2017 |
Liu W, Jiang J, Yang KR, Mi Y, Kumaravadivel P, Zhong Y, Fan Q, Weng Z, Wu Z, Cha JJ, Zhou H, Batista VS, Brudvig GW, Wang H. Ultrathin dendrimer-graphene oxide composite film for stable cycling lithium-sulfur batteries. Proceedings of the National Academy of Sciences of the United States of America. PMID 28320950 DOI: 10.1073/Pnas.1620809114 |
0.568 |
|
2017 |
Nganga JK, Samanamu CR, Tanski JM, Pacheco C, Saucedo C, Batista VS, Grice KA, Ertem MZ, Angeles-Boza AM. Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes. Inorganic Chemistry. PMID 28277679 DOI: 10.1021/Acs.Inorgchem.6B02384 |
0.659 |
|
2017 |
Wang J, Askerka M, Brudvig GW, Batista VS. Insights into Photosystem II from Isomorphous Difference Fourier Maps of Femtosecond X-ray Diffraction Data and Quantum Mechanics/Molecular Mechanics Structural Models. Acs Energy Letters. 2: 397-407. PMID 28217747 DOI: 10.1021/Acsenergylett.6B00626 |
0.737 |
|
2017 |
Chase HM, Ho J, Upshur MA, Thomson RJ, Batista VS, Geiger FM. Unanticipated Stickiness of α-Pinene. The Journal of Physical Chemistry. A. PMID 28100048 DOI: 10.1021/Acs.Jpca.6B12653 |
0.627 |
|
2017 |
Vinyard DJ, Khan S, Askerka M, Batista VS, Brudvig GW. Energetics of the S2 State Spin Isomers of the Oxygen-Evolving Complex of Photosystem II. The Journal of Physical Chemistry. B. PMID 28079373 DOI: 10.1021/Acs.Jpcb.7B00110 |
0.722 |
|
2017 |
Rudshteyn B, Vibbert HB, May R, Wasserman E, Warnke I, Hopkins MD, Batista VS. Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten–Alkylidyne Complexes Acs Catalysis. 7: 6134-6143. DOI: 10.1021/Acscatal.7B01636 |
0.705 |
|
2017 |
Wu Y, Rudshteyn B, Zhanaidarova A, Froehlich JD, Ding W, Kubiak CP, Batista VS. Electrode-Ligand Interactions Dramatically Enhance CO2 Conversion to CO by the [Ni(cyclam)](PF6)2 Catalyst Acs Catalysis. 7: 5282-5288. DOI: 10.1021/Acscatal.7B01109 |
0.787 |
|
2017 |
Lee SH, Regan KP, Hedström S, Matula AJ, Chaudhuri S, Crabtree RH, Batista VS, Schmuttenmaer CA, Brudvig GW. Linker Length-Dependent Electron-Injection Dynamics of Trimesitylporphyrins on SnO2 Films The Journal of Physical Chemistry C. 121: 22690-22699. DOI: 10.1021/Acs.Jpcc.7B07855 |
0.798 |
|
2017 |
Hedström S, Matula AJ, Batista VS. Charge Transport and Rectification in Donor–Acceptor Dyads The Journal of Physical Chemistry C. 121: 19053-19062. DOI: 10.1021/Acs.Jpcc.7B05749 |
0.789 |
|
2017 |
Ge A, Videla PE, Lee GL, Rudshteyn B, Song J, Kubiak CP, Batista VS, Lian T. Interfacial Structure and Electric Field Probed by in Situ Electrochemical Vibrational Stark Effect Spectroscopy and Computational Modeling The Journal of Physical Chemistry C. 121: 18674-18682. DOI: 10.1021/Acs.Jpcc.7B05563 |
0.791 |
|
2017 |
Lim GN, Hedström S, Jung KA, Smith PAD, Batista VS, D’Souza F, van der Est A, Poddutoori PK. Interfacial Electron Transfer Followed by Photooxidation in N,N-Bis(p-anisole)aminopyridine–Aluminum(III) Porphyrin–Titanium(IV) Oxide Self-Assembled Photoanodes The Journal of Physical Chemistry C. 121: 14484-14497. DOI: 10.1021/Acs.Jpcc.7B04197 |
0.713 |
|
2017 |
Zhong Y, Yang KR, Liu W, He P, Batista V, Wang H. Mechanistic Insights into Surface Chemical Interactions between Lithium Polysulfides and Transition Metal Oxides The Journal of Physical Chemistry C. 121: 14222-14227. DOI: 10.1021/Acs.Jpcc.7B04170 |
0.594 |
|
2017 |
Rudshteyn B, Negre CFA, Oliboni RS, Monti A, Chen J, Crabtree RH, Rego LGC, Batista VS. Inferring Protonation States of Hydroxamate Adsorbates on TiO2 Surfaces The Journal of Physical Chemistry C. 121: 11985-11990. DOI: 10.1021/Acs.Jpcc.7B01272 |
0.714 |
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2017 |
Chaudhuri S, Rudshteyn B, Prémont-Schwarz M, Pines D, Pines E, Huppert D, Nibbering ET, Batista VS. Ultrafast photo-induced charge transfer of 1-naphthol and 2-naphthol to halocarbon solvents Chemical Physics Letters. 683: 49-56. DOI: 10.1016/J.Cplett.2017.03.080 |
0.761 |
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2017 |
Chase HM, Chen S, Fu L, Upshur MA, Rudshteyn B, Thomson RJ, Wang H, Batista VS, Geiger FM. Orientations of nonlocal vibrational modes from combined experimental and theoretical sum frequency spectroscopy Chemical Physics Letters. 683: 199-204. DOI: 10.1016/J.Cplett.2017.01.015 |
0.758 |
|
2017 |
Wu Y, Rudshteyn B, Warnke I, Xiao D, Batista VS. Mechanistic study of CO/CO2
conversion catalyzed by a biomimetic Ni(II)-iminothiolate complex International Journal of Quantum Chemistry. 118: e25555. DOI: 10.1002/Qua.25555 |
0.77 |
|
2016 |
Schloss AC, Liu W, Williams DM, Kaufman G, Hendrickson HP, Rudshteyn B, Fu L, Wang H, Batista VS, Osuji C, Yan ECY, Regan L. Fabrication of Modularly Functionalizable Microcapsules Using Protein-Based Technologies. Acs Biomaterials Science & Engineering. 2: 1856-1861. PMID 29805990 DOI: 10.1021/Acsbiomaterials.6B00447 |
0.77 |
|
2016 |
Askerka M, Brudvig GW, Batista VS. The O2-Evolving Complex of Photosystem II: Recent Insights from Quantum Mechanics/Molecular Mechanics (QM/MM), extended X-ray Absorption Fine Structure (EXAFS), and Femtosecond X-ray Crystallography Data. Accounts of Chemical Research. PMID 28001034 DOI: 10.1021/Acs.Accounts.6B00405 |
0.752 |
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2016 |
Lipchock JM, Hendrickson HP, Douglas BB, Bird KE, Ginther PS, Rivalta I, Ten NS, Batista VS, Loria JP. Characterization of PTP1B Inhibition by Chlorogenic Acid and Cichoric Acid. Biochemistry. PMID 27959494 DOI: 10.1021/Acs.Biochem.6B01025 |
0.679 |
|
2016 |
Mi Y, Liu W, Yang KR, Jiang J, Fan Q, Weng Z, Zhong Y, Wu Z, Brudvig GW, Batista VS, Zhou H, Wang H. Ferrocene-Promoted Long-Cycle Lithium-Sulfur Batteries. Angewandte Chemie (International Ed. in English). PMID 27779359 DOI: 10.1002/Anie.201609147 |
0.595 |
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2016 |
Koepf M, Koenigsmann C, Ding W, Batra A, Negre CF, Venkataraman L, Brudvig GW, Batista VS, Schmuttenmaer CA, Crabtree RH. Controlling the rectification properties of molecular junctions through molecule-electrode coupling. Nanoscale. 8: 16357-16362. PMID 27722662 DOI: 10.1039/C6Nr04830G |
0.793 |
|
2016 |
Li S, Ahmed L, Zhang R, Pan Y, Matsunami H, Burger JL, Block E, Batista VS, Zhuang H. Smelling Sulfur: Copper and Silver Regulate the Response of Human Odorant Receptor OR2T11 to Low Molecular Weight Thiols. Journal of the American Chemical Society. PMID 27659093 DOI: 10.1021/Jacs.6B06983 |
0.585 |
|
2016 |
Askerka M, Ho J, Batista ER, Gascón JA, Batista VS. The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes. Methods in Enzymology. 577: 443-81. PMID 27498648 DOI: 10.1016/Bs.Mie.2016.05.021 |
0.798 |
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2016 |
Bloomfield AJ, Matula AJ, Mercado BQ, Batista VS, Crabtree RH. Organometallic Iridium Complex Containing a Dianionic, Tridentate, Mixed Organic-Inorganic Ligand. Inorganic Chemistry. 55: 8121-9. PMID 27462911 DOI: 10.1021/Acs.Inorgchem.6B01218 |
0.797 |
|
2016 |
Fishman ZS, Rudshteyn B, He Y, Liu B, Chaudhuri S, Askerka M, Haller GL, Batista VS, Pfefferle LD. The Fundamental Role of Oxygen Stoichiometry in Controlling the Band Gap and Reactivity of Cupric Oxide Nanosheets. Journal of the American Chemical Society. PMID 27454546 DOI: 10.1021/Jacs.6B05332 |
0.782 |
|
2016 |
Vinyard DJ, Askerka M, Debus RJ, Batista VS, Brudvig GW. Ammonia binding in the second coordination sphere of the oxygen-evolving complex of Photosystem II. Biochemistry. PMID 27433995 DOI: 10.1021/Acs.Biochem.6B00543 |
0.728 |
|
2016 |
Jiang J, Swierk JR, Hedström S, Matula AJ, Crabtree RH, Batista VS, Schmuttenmaer CA, Brudvig GW. Molecular design of light-harvesting photosensitizers: effect of varied linker conjugation on interfacial electron transfer. Physical Chemistry Chemical Physics : Pccp. 18: 18678-82. PMID 27364769 DOI: 10.1039/C6Cp04377A |
0.795 |
|
2016 |
Weng Z, Jiang J, Wu Y, Wu Z, Guo X, Materna KL, Liu W, Batista VS, Brudvig GW, Wang H. Electrochemical CO2 Reduction to Hydrocarbons on a Heterogene-ous Molecular Cu Catalyst in Aqueous Solution. Journal of the American Chemical Society. PMID 27310487 DOI: 10.1021/Jacs.6B04746 |
0.674 |
|
2016 |
Askerka M, Maurer RJ, Batista VS, Tully JC. Role of Tensorial Electronic Friction in Energy Transfer at Metal Surfaces. Physical Review Letters. 116: 217601. PMID 27284673 DOI: 10.1103/Physrevlett.116.217601 |
0.788 |
|
2016 |
Lisi GP, Manley GA, Hendrickson H, Rivalta I, Batista VS, Loria JP. Dissecting Dynamic Allosteric Pathways Using Chemically Related Small-Molecule Activators. Structure (London, England : 1993). PMID 27238967 DOI: 10.1016/J.Str.2016.04.010 |
0.701 |
|
2016 |
Yang KR, Matula AJ, Kwon G, Hong J, Sheehan SW, Thomsen JM, Brudvig GW, Crabtree RH, Tiede DM, Chen LX, Batista VS. Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-Ray Scattering and EXAFS Spectroscopy. Journal of the American Chemical Society. PMID 27087202 DOI: 10.1021/Jacs.6B01750 |
0.8 |
|
2016 |
Askerka M, Wang J, Vinyard DJ, Brudvig GW, Batista VS. The S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS and Femtosecond X-ray Diffraction. Biochemistry. PMID 26849148 DOI: 10.1021/Acs.Biochem.6B00041 |
0.745 |
|
2016 |
Kong X, Markmann A, Batista VS. A Time-Sliced Thawed Gaussian Propagation Method for Simulations of Quantum Dynamics. The Journal of Physical Chemistry. A. PMID 26845486 DOI: 10.1021/Acs.Jpca.5B12192 |
0.56 |
|
2016 |
Ramakrishnan S, Waldie KM, Warnke I, De Crisci AG, Batista VS, Waymouth RM, Chidsey CE. Experimental and Theoretical Study of CO2 Insertion into Ruthenium Hydride Complexes. Inorganic Chemistry. PMID 26835983 DOI: 10.1021/Acs.Inorgchem.5B02556 |
0.323 |
|
2016 |
Brennan BJ, Chen J, Rudshteyn B, Chaudhuri S, Mercado BQ, Batista VS, Crabtree RH, Brudvig GW. Molecular titanium-hydroxamate complexes as models for TiO2 surface binding. Chemical Communications (Cambridge, England). 52: 2972-5. PMID 26781247 DOI: 10.1039/C5Cc09857B |
0.76 |
|
2016 |
Maurer RJ, Askerka M, Batista VS, Tully JC. Ab initiotensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation Physical Review B. 94. DOI: 10.1103/Physrevb.94.115432 |
0.79 |
|
2016 |
Koenigsmann C, Ding W, Koepf M, Batra A, Venkataraman L, Negre CFA, Brudvig GW, Crabtree RH, Batista VS, Schmuttenmaer CA. Structure–function relationships in single molecule rectification by N-phenylbenzamide derivatives New Journal of Chemistry. 40: 7373-7378. DOI: 10.1039/C6Nj00870D |
0.725 |
|
2016 |
Bloomfield AJ, Chaudhuri S, Mercado BQ, Batista VS, Crabtree RH. Facile solvolysis of a surprisingly twisted tertiary amide New Journal of Chemistry. 40: 1974-1981. DOI: 10.1039/C5Nj02449H |
0.508 |
|
2016 |
Materna KL, Rudshteyn B, Brennan BJ, Kane MH, Bloomfield AJ, Huang DL, Shopov DY, Batista VS, Crabtree RH, Brudvig GW. Heterogenized Iridium Water-Oxidation Catalyst from a Silatrane Precursor Acs Catalysis. 6: 5371-5377. DOI: 10.1021/Acscatal.6B01101 |
0.7 |
|
2016 |
Jiang J, Swierk JR, Materna KL, Hedström S, Lee SH, Crabtree RH, Schmuttenmaer CA, Batista VS, Brudvig GW. High-Potential Porphyrins Supported on SnO2 and TiO2 Surfaces for Photoelectrochemical Applications The Journal of Physical Chemistry C. 120: 28971-28982. DOI: 10.1021/Acs.Jpcc.6B10350 |
0.338 |
|
2016 |
Bao J, Gundlach L, Yu Z, Benedict JB, Snoeberger RC, Batista VS, Coppens P, Piotrowiak P. Hot Hole Hopping in a Polyoxotitanate Cluster Terminated with Catechol Electron Donors Journal of Physical Chemistry C. 120: 20006-20015. DOI: 10.1021/Acs.Jpcc.6B06042 |
0.754 |
|
2016 |
Ge A, Rudshteyn B, Psciuk BT, Xiao D, Song J, Anfuso CL, Ricks AM, Batista VS, Lian T. Surface-Induced Anisotropic Binding of a Rhenium CO2-Reduction Catalyst on Rutile TiO2(110) Surfaces Journal of Physical Chemistry C. 120: 20970-20977. DOI: 10.1021/Acs.Jpcc.6B03165 |
0.795 |
|
2016 |
Ho J, Psciuk BT, Chase HM, Rudshteyn B, Upshur MA, Fu L, Thomson RJ, Wang HF, Geiger FM, Batista VS. Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Reveal a Rotationally Fluid Adsorption State of α-Pinene on Silica Journal of Physical Chemistry C. 120: 12578-12589. DOI: 10.1021/Acs.Jpcc.6B03158 |
0.785 |
|
2016 |
Clark ML, Rudshteyn B, Ge A, Chabolla SA, MacHan CW, Psciuk BT, Song J, Canzi G, Lian T, Batista VS, Kubiak CP. Orientation of cyano-substituted bipyridine Re(I) fac-tricarbonyl electrocatalysts bound to conducting au surfaces Journal of Physical Chemistry C. 120: 1657-1665. DOI: 10.1021/Acs.Jpcc.5B10912 |
0.795 |
|
2016 |
Kar S, Sizochenko N, Ahmed L, Batista VS, Leszczynski J. Quantitative structure-property relationship model leading to virtual screening of fullerene derivatives: Exploring structural attributes critical for photoconversion efficiency of polymer solar cell acceptors Nano Energy. 26: 677-691. DOI: 10.1016/J.Nanoen.2016.06.011 |
0.649 |
|
2016 |
Bonvicini A, Demoulin B, Altavilla SF, Nenov A, El-Tahawy MMT, Segarra-Martí J, Giussani A, Batista VS, Garavelli M, Rivalta I. Ultraviolet vision: photophysical properties of the unprotonated retinyl Schiff base in the Siberian hamster cone pigment Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1869-X |
0.34 |
|
2016 |
Lakkaraju PS, Askerka M, Beyer H, Ryan CT, Dobbins T, Bennett C, Kaczur JJ, Batista VS. Formate to Oxalate: A Crucial Step for the Conversion of Carbon Dioxide into Multi-carbon Compounds Chemcatchem. 8: 3453-3457. DOI: 10.1002/Cctc.201600765 |
0.725 |
|
2015 |
Chen J, Wu K, Rudshteyn B, Jia Y, Ding W, Xie ZX, Batista VS, Lian T. Ultrafast Photo-induced Interfacial Proton Coupled Electron Transfer from CdSe Quantum Dots to 4,4'-bipyridine. Journal of the American Chemical Society. PMID 26713752 DOI: 10.1021/Jacs.5B10354 |
0.806 |
|
2015 |
Ding W, Koepf M, Koenigsmann C, Batra A, Venkataraman L, Negre CF, Brudvig GW, Crabtree RH, Schmuttenmaer CA, Batista VS. Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide. Journal of Chemical Theory and Computation. 11: 5888-96. PMID 26642992 DOI: 10.1021/Acs.Jctc.5B00823 |
0.797 |
|
2015 |
Chase HM, Rudshteyn B, Psciuk BT, Upshur MA, Strick BF, Thomson RJ, Batista VS, Geiger FM. Assessment of DFT for Computing Sum Frequency Generation Spectra of an Epoxydiol and a Deuterated Isotopologue at Fused Silica/Vapor Interfaces. The Journal of Physical Chemistry. B. PMID 26562617 DOI: 10.1021/Acs.Jpcb.5B09769 |
0.787 |
|
2015 |
Koepf M, Lee SH, Brennan BJ, Méndez-Hernández DD, Batista VS, Brudvig GW, Crabtree RH. Preparation of Halogenated Fluorescent Diaminophenazine Building Blocks. The Journal of Organic Chemistry. PMID 26390117 DOI: 10.1021/Acs.Joc.5B01339 |
0.773 |
|
2015 |
Askerka M, Vinyard DJ, Brudvig GW, Batista VS. NH3 Binding to the S2 State of the O2-Evolving Complex of Photosystem II: Analogue to H2O Binding during the S2 → S3 Transition. Biochemistry. 54: 5783-6. PMID 26378340 DOI: 10.1021/Acs.Biochem.5B00974 |
0.747 |
|
2015 |
Monti A, Negre CF, Batista VS, Rego LG, de Groot HJ, Buda F. Crucial Role of Nuclear Dynamics for Electron Injection in a Dye-Semiconductor Complex. The Journal of Physical Chemistry Letters. 6: 2393-8. PMID 26266622 DOI: 10.1021/Acs.Jpclett.5B00876 |
0.803 |
|
2015 |
Fu L, Wang Z, Psciuk BT, Xiao D, Batista VS, Yan EC. Characterization of Parallel β-Sheets at Interfaces by Chiral Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters. 6: 1310-5. PMID 26263128 DOI: 10.1021/Acs.Jpclett.5B00326 |
0.781 |
|
2015 |
Matheu R, Ertem MZ, Benet-Buchholz J, Coronado E, Batista VS, Sala X, Llobet A. Intramolecular Proton Transfer Boosts Water Oxidation Catalyzed by a Ru Complex. Journal of the American Chemical Society. PMID 26226390 DOI: 10.1021/Jacs.5B06541 |
0.666 |
|
2015 |
Shopov DY, Rudshteyn B, Campos J, Batista VS, Crabtree RH, Brudvig GW. Stable Iridium(IV) Complexes of an Oxidation-Resistant Pyridine-Alkoxide Ligand: Highly Divergent Redox Properties Depending on the Isomeric Form Adopted. Journal of the American Chemical Society. 137: 7243-50. PMID 25988658 DOI: 10.1021/Jacs.5B04185 |
0.705 |
|
2015 |
Block E, Jang S, Matsunami H, Sekharan S, Dethier B, Ertem MZ, Gundala S, Pan Y, Li S, Li Z, Lodge SN, Ozbil M, Jiang H, Penalba SF, Batista VS, et al. Implausibility of the vibrational theory of olfaction. Proceedings of the National Academy of Sciences of the United States of America. 112: E2766-74. PMID 25901328 DOI: 10.1073/pnas.1503054112 |
0.786 |
|
2015 |
Psciuk BT, Prémont-Schwarz M, Koeppe B, Keinan S, Xiao D, Nibbering ET, Batista VS. Correlating photoacidity to hydrogen-bond structure by using the local O-H stretching probe in hydrogen-bonded complexes of aromatic alcohols. The Journal of Physical Chemistry. A. 119: 4800-12. PMID 25879273 DOI: 10.1021/Acs.Jpca.5B01530 |
0.793 |
|
2015 |
Chase HM, Psciuk BT, Strick BL, Thomson RJ, Batista VS, Geiger FM. Beyond local group modes in vibrational sum frequency generation. The Journal of Physical Chemistry. A. 119: 3407-14. PMID 25774902 DOI: 10.1021/Acs.Jpca.5B02208 |
0.75 |
|
2015 |
Askerka M, Vinyard DJ, Wang J, Brudvig GW, Batista VS. Analysis of the radiation-damage-free X-ray structure of photosystem II in light of EXAFS and QM/MM data. Biochemistry. 54: 1713-6. PMID 25710258 DOI: 10.1021/Acs.Biochem.5B00089 |
0.725 |
|
2015 |
Mifflin AL, Velarde L, Ho J, Psciuk BT, Negre CF, Ebben CJ, Upshur MA, Lu Z, Strick BL, Thomson RJ, Batista VS, Wang HF, Geiger FM. Accurate line shapes from sub-1 cm(-1) resolution sum frequency generation vibrational spectroscopy of α-pinene at room temperature. The Journal of Physical Chemistry. A. 119: 1292-302. PMID 25647092 DOI: 10.1021/Jp510700Z |
0.788 |
|
2015 |
Li C, Koenigsmann C, Ding W, Rudshteyn B, Yang KR, Regan KP, Konezny SJ, Batista VS, Brudvig GW, Schmuttenmaer CA, Kim JH. Facet-dependent photoelectrochemical performance of TiO2 nanostructures: an experimental and computational study. Journal of the American Chemical Society. 137: 1520-9. PMID 25563343 DOI: 10.1021/Ja5111078 |
0.798 |
|
2015 |
Vogt L, Ertem MZ, Pal R, Brudvig GW, Batista VS. Computational insights on crystal structures of the oxygen-evolving complex of photosystem II with either Ca(2+) or Ca(2+) substituted by Sr(2+). Biochemistry. 54: 820-5. PMID 25555204 DOI: 10.1021/Bi5011706 |
0.65 |
|
2015 |
Mooney V, Sekharan S, Liu J, Guo Y, Batista VS, Yan EC. Kinetics of thermal activation of an ultraviolet cone pigment. Journal of the American Chemical Society. 137: 307-13. PMID 25514632 DOI: 10.1021/Ja510553F |
0.368 |
|
2015 |
Zeitler EL, Ertem MZ, Pander JE, Yan Y, Batista VS, Bocarsly AB. Isotopic probe illuminates the role of the electrode surface in proton coupled hydride transfer electrochemical reduction of pyridinium on Pt(111) Journal of the Electrochemical Society. 162: H938-H944. DOI: 10.1149/2.0821514Jes |
0.628 |
|
2015 |
Poddutoori PK, Thomsen JM, Milot RL, Sheehan SW, Negre CFA, Garapati VKR, Schmuttenmaer CA, Batista VS, Brudvig GW, Van Der Est A. Interfacial electron transfer in photoanodes based on phosphorus(v) porphyrin sensitizers co-deposited on SnO2 with the Ir(III)Cp∗ water oxidation precatalyst Journal of Materials Chemistry A. 3: 3868-3879. DOI: 10.1039/C4Ta07018F |
0.413 |
|
2015 |
Khan S, Yang KR, Ertem MZ, Batista VS, Brudvig GW. Mechanism of Manganese-Catalyzed Oxygen Evolution from Experimental and Theoretical Analyses of 18O Kinetic Isotope Effects Acs Catalysis. 5: 7104-7113. DOI: 10.1021/Acscatal.5B01976 |
0.681 |
|
2015 |
Matheu R, Francàs L, Chernev P, Ertem MZ, Batista V, Haumann M, Sala X, Llobet A. Behavior of the Ru-bda water oxidation catalyst covalently anchored on glassy carbon electrodes Acs Catalysis. 5: 3422-3429. DOI: 10.1021/Acscatal.5B00132 |
0.649 |
|
2015 |
Ertem MZ, Kharche N, Batista VS, Hybertsen MS, Tully JC, Muckerman JT. Photoinduced Water Oxidation at the Aqueous GaN (101¯0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step Acs Catalysis. 5: 2317-2323. DOI: 10.1021/Acscatal.5B00054 |
0.74 |
|
2015 |
Rivalta I, Yang KR, Brudvig GW, Batista VS. Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer Acs Catalysis. 5: 2384-2390. DOI: 10.1021/Acscatal.5B00048 |
0.455 |
|
2015 |
Fu L, Wang Z, Psciuk BT, Xiao D, Batista VS, Yan ECY. Characterization of parallel β-sheets at interfaces by chiral sum frequency generation spectroscopy Journal of Physical Chemistry Letters. 6: 1310-1315. DOI: 10.1021/acs.jpclett.5b00326 |
0.756 |
|
2015 |
Liao K, Askerka M, Zeitler EL, Bocarsly AB, Batista VS. Electrochemical Reduction of Aqueous Imidazolium on Pt(111) by Proton Coupled Electron Transfer Topics in Catalysis. 58: 23-29. DOI: 10.1007/S11244-014-0340-2 |
0.739 |
|
2014 |
Ding W, Negre CF, Vogt L, Batista VS. Single Molecule Rectification Induced by the Asymmetry of a Single Frontier Orbital. Journal of Chemical Theory and Computation. 10: 3393-400. PMID 26588307 DOI: 10.1021/Ct5004687 |
0.8 |
|
2014 |
Ho J, Newcomer MB, Ragain CM, Gascon JA, Batista ER, Loria JP, Batista VS. MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex. Journal of Chemical Theory and Computation. 10: 5125-35. PMID 26584390 DOI: 10.1021/Ct500571K |
0.798 |
|
2014 |
Askerka M, Wang J, Brudvig GW, Batista VS. Structural changes in the oxygen-evolving complex of photosystem II induced by the S1 to S2 transition: A combined XRD and QM/MM study. Biochemistry. 53: 6860-2. PMID 25347729 DOI: 10.1021/Bi5011915 |
0.735 |
|
2014 |
Negre CF, Young KJ, Oviedo MB, Allen LJ, Sánchez CG, Jarzembska KN, Benedict JB, Crabtree RH, Coppens P, Brudvig GW, Batista VS. Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates. Journal of the American Chemical Society. 136: 16420-9. PMID 25337894 DOI: 10.1021/Ja509270F |
0.8 |
|
2014 |
Sekharan S, Ertem MZ, Zhuang H, Block E, Matsunami H, Zhang R, Wei JN, Pan Y, Batista VS. QM/MM model of the mouse olfactory receptor MOR244-3 validated by site-directed mutagenesis experiments. Biophysical Journal. 107: L5-8. PMID 25185561 DOI: 10.1016/J.Bpj.2014.07.031 |
0.619 |
|
2014 |
Guo Y, Sekharan S, Liu J, Batista VS, Tully JC, Yan EC. Unusual kinetics of thermal decay of dim-light photoreceptors in vertebrate vision. Proceedings of the National Academy of Sciences of the United States of America. 111: 10438-43. PMID 25002518 DOI: 10.1073/Pnas.1410826111 |
0.556 |
|
2014 |
Koenigsmann C, Ripolles TS, Brennan BJ, Negre CF, Koepf M, Durrell AC, Milot RL, Torre JA, Crabtree RH, Batista VS, Brudvig GW, Bisquert J, Schmuttenmaer CA. Substitution of a hydroxamic acid anchor into the MK-2 dye for enhanced photovoltaic performance and water stability in a DSSC. Physical Chemistry Chemical Physics : Pccp. 16: 16629-41. PMID 24993024 DOI: 10.1039/C4Cp02405B |
0.727 |
|
2014 |
Mohammed OF, Xiao D, Batista VS, Nibbering ET. Excited-state intramolecular hydrogen transfer (ESIHT) of 1,8-dihydroxy-9,10-anthraquinone (DHAQ) characterized by ultrafast electronic and vibrational spectroscopy and computational modeling. The Journal of Physical Chemistry. A. 118: 3090-9. PMID 24684387 DOI: 10.1021/Jp501612F |
0.533 |
|
2014 |
Ding W, Negre CF, Palma JL, Durrell AC, Allen LJ, Young KJ, Milot RL, Schmuttenmaer CA, Brudvig GW, Crabtree RH, Batista VS. Linker rectifiers for covalent attachment of transition-metal catalysts to metal-oxide surfaces. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 1138-47. PMID 24668518 DOI: 10.1002/Cphc.201400063 |
0.805 |
|
2014 |
López I, Ertem MZ, Maji S, Benet-Buchholz J, Keidel A, Kuhlmann U, Hildebrandt P, Cramer CJ, Batista VS, Llobet A. A self-improved water-oxidation catalyst: is one site really enough? Angewandte Chemie (International Ed. in English). 53: 205-9. PMID 24259487 DOI: 10.1002/Anie.201307509 |
0.696 |
|
2014 |
Luber S, Leung S, Herrmann C, Du WH, Noodleman L, Batista VS. EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis. Dalton Transactions (Cambridge, England : 2003). 43: 576-83. PMID 24129440 DOI: 10.1039/C3Dt51563J |
0.729 |
|
2014 |
Ding W, Negre CFA, Vogt L, Batista VS. High-conductance conformers in histograms of single-molecule current-voltage characteristics Journal of Physical Chemistry C. 118: 8316-8321. DOI: 10.1021/Jp503193M |
0.746 |
|
2014 |
Ho J, Newcomer MB, Ragain CM, Gascon JA, Batista ER, Loria JP, Batista VS. MoD-QM/MM structural refinement method: Characterization of hydrogen bonding in the Oxytricha nova G-quadruplex Journal of Chemical Theory and Computation. 10: 5125-5135. DOI: 10.1021/ct500571k |
0.766 |
|
2014 |
Ding W, Negre CFA, Vogt L, Batista VS. Single molecule rectification induced by the asymmetry of a single frontier orbital Journal of Chemical Theory and Computation. 10: 3393-3400. DOI: 10.1021/ct5004687 |
0.699 |
|
2014 |
Doherty MD, Konezny SJ, Batista VS, Soloveichik GL. Electrochemical reactions of pincer rhodium(I) complexes Journal of Organometallic Chemistry. 762: 94-97. DOI: 10.1016/J.Jorganchem.2013.10.045 |
0.322 |
|
2014 |
Durrell AC, Li G, Koepf M, Young KJ, Negre CFA, Allen LJ, McNamara WR, Song HE, Batista VS, Crabtree RH, Brudvig GW. Photoelectrochemical oxidation of a turn-on fluorescent probe mediated by a surface MnII catalyst covalently attached to TiO2 nanoparticles Journal of Catalysis. 310: 37-44. DOI: 10.1016/J.Jcat.2013.07.001 |
0.319 |
|
2014 |
Psciuk BT, Prémont-Schwartz M, Koeppe B, Keinan S, Xiao D, Batista VS, Nibbering ETJ. Ultrafast IR spectroscopy of O-H stretching modes in 2-naphthol-acetonitrile photoacid-base complexes Optics Infobase Conference Papers. |
0.764 |
|
2013 |
Ertem MZ, Konezny SJ, Araujo CM, Batista VS. Functional Role of Pyridinium during Aqueous Electrochemical Reduction of CO2 on Pt(111). The Journal of Physical Chemistry Letters. 4: 745-8. PMID 26281929 DOI: 10.1021/jz400183z |
0.604 |
|
2013 |
Sekharan S, Mooney VL, Rivalta I, Kazmi MA, Neitz M, Neitz J, Sakmar TP, Yan EC, Batista VS. Spectral tuning of ultraviolet cone pigments: an interhelical lock mechanism. Journal of the American Chemical Society. 135: 19064-7. PMID 24295328 DOI: 10.1021/Ja409896Y |
0.305 |
|
2013 |
Poojari C, Xiao D, Batista VS, Strodel B. Membrane permeation induced by aggregates of human islet amyloid polypeptides. Biophysical Journal. 105: 2323-32. PMID 24268144 DOI: 10.1016/J.Bpj.2013.09.045 |
0.478 |
|
2013 |
Pal R, Negre CF, Vogt L, Pokhrel R, Ertem MZ, Brudvig GW, Batista VS. S0-State model of the oxygen-evolving complex of photosystem II. Biochemistry. 52: 7703-6. PMID 24125018 DOI: 10.1021/Bi401214V |
0.806 |
|
2013 |
Grabowski PE, Markmann A, Morozov IV, Valuev IA, Fichtl CA, Richards DF, Batista VS, Graziani FR, Murillo MS. Wave packet spreading and localization in electron-nuclear scattering. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 87: 063104. PMID 23848786 DOI: 10.1103/Physreve.87.063104 |
0.313 |
|
2013 |
Messina F, Prémont-Schwarz M, Braem O, Xiao D, Batista VS, Nibbering ET, Chergui M. Ultrafast solvent-assisted electronic level crossing in 1-naphthol. Angewandte Chemie (International Ed. in English). 52: 6871-5. PMID 23794205 DOI: 10.1002/Anie.201301931 |
0.481 |
|
2013 |
Pal R, Sekharan S, Batista VS. Spectral tuning in halorhodopsin: the chloride pump photoreceptor. Journal of the American Chemical Society. 135: 9624-7. PMID 23777372 DOI: 10.1021/Ja404600Z |
0.315 |
|
2013 |
Luber S, Adamczyk K, Nibbering ET, Batista VS. Photoinduced proton coupled electron transfer in 2-(2'-hydroxyphenyl)-benzothiazole. The Journal of Physical Chemistry. A. 117: 5269-79. PMID 23718689 DOI: 10.1021/Jp403342W |
0.662 |
|
2013 |
Brewster TP, Konezny SJ, Sheehan SW, Martini LA, Schmuttenmaer CA, Batista VS, Crabtree RH. Hydroxamate anchors for improved photoconversion in dye-sensitized solar cells. Inorganic Chemistry. 52: 6752-64. PMID 23687967 DOI: 10.1021/Ic4010856 |
0.342 |
|
2013 |
Luca OR, Konezny SJ, Paulson EK, Habib F, Luthy KM, Murugesu M, Crabtree RH, Batista VS. Study of an S = 1 Ni(II) pincer electrocatalyst precursor for aqueous hydrogen production based on paramagnetic 1H NMR. Dalton Transactions (Cambridge, England : 2003). 42: 8802-7. PMID 23640289 DOI: 10.1039/C3Dt50528F |
0.726 |
|
2013 |
Amin M, Vogt L, Vassiliev S, Rivalta I, Sultan MM, Bruce D, Brudvig GW, Batista VS, Gunner MR. Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II. The Journal of Physical Chemistry. B. 117: 6217-26. PMID 23570540 DOI: 10.1021/Jp403321B |
0.354 |
|
2013 |
Fu L, Xiao D, Wang Z, Batista VS, Yan EC. Chiral sum frequency generation for in situ probing proton exchange in antiparallel β-sheets at interfaces. Journal of the American Chemical Society. 135: 3592-8. PMID 23394622 DOI: 10.1021/Ja3119527 |
0.497 |
|
2013 |
Blakemore JD, Mara MW, Kushner-Lenhoff MN, Schley ND, Konezny SJ, Rivalta I, Negre CF, Snoeberger RC, Kokhan O, Huang J, Stickrath A, Tran LA, Parr ML, Chen LX, Tiede DM, ... Batista VS, et al. Characterization of an amorphous iridium water-oxidation catalyst electrodeposited from organometallic precursors. Inorganic Chemistry. 52: 1860-71. PMID 23383971 DOI: 10.1021/Ic301968J |
0.798 |
|
2013 |
Prémont-Schwarz M, Xiao D, Sekharan S, Batista VS, Nibbering ETJ. Ultrafast OH-stretching frequency shifts of hydrogen-bonded 2-naphthol photoacid-base complexes in solution Epj Web of Conferences. 41. DOI: 10.1051/epjconf/20134106007 |
0.406 |
|
2013 |
Ertem MZ, Konezny SJ, Araujo CM, Batista VS. Functional role of pyridinium during aqueous electrochemical reduction of CO2 on Pt(111) Journal of Physical Chemistry Letters. 4: 745-748. DOI: 10.1021/jz400183z |
0.58 |
|
2013 |
Negre CFA, Milot RL, Martini LA, Ding W, Crabtree RH, Schmuttenmaer CA, Batista VS. Efficiency of interfacial electron transfer from Zn-porphyrin dyes into TiO2 correlated to the linker single molecule conductance Journal of Physical Chemistry C. 117: 24462-24470. DOI: 10.1021/Jp408738B |
0.758 |
|
2013 |
Li X, Sproviero EM, Ryde U, Batista VS, Chen G. Theoretical EXAFS studies of a model of the oxygen-evolving complex of photosystem II obtained with the quantum cluster approach International Journal of Quantum Chemistry. 113: 474-478. DOI: 10.1002/Qua.24143 |
0.726 |
|
2013 |
Messina F, Prémont-Schwarz M, Braem O, Xiao D, Batista VS, Nibbering ETJ, Chergui M. Inside Back Cover: Ultrafast Solvent-Assisted Electronic Level Crossing in 1-Naphthol (Angew. Chem. Int. Ed. 27/2013) Angewandte Chemie International Edition. 52: 7043-7043. DOI: 10.1002/Anie.201304256 |
0.481 |
|
2013 |
Messina F, Prémont-Schwarz M, Braem O, Xiao D, Batista VS, Nibbering ETJ, Chergui M. Innenrücktitelbild: Ultrafast Solvent-Assisted Electronic Level Crossing in 1-Naphthol (Angew. Chem. 27/2013) Angewandte Chemie. 125: 7181-7181. DOI: 10.1002/Ange.201304256 |
0.478 |
|
2012 |
Young KJ, Martini LA, Milot RL, Iii RC, Batista VS, Schmuttenmaer CA, Crabtree RH, Brudvig GW. Light-driven water oxidation for solar fuels. Coordination Chemistry Reviews. 256: 2503-2520. PMID 25364029 DOI: 10.1016/J.Ccr.2012.03.031 |
0.32 |
|
2012 |
Luca OR, Blakemore JD, Konezny SJ, Praetorius JM, Schmeier TJ, Hunsinger GB, Batista VS, Brudvig GW, Hazari N, Crabtree RH. Organometallic Ni pincer complexes for the electrocatalytic production of hydrogen. Inorganic Chemistry. 51: 8704-9. PMID 22849660 DOI: 10.1021/Ic300009A |
0.727 |
|
2012 |
Snoeberger RC, Young KJ, Tang J, Allen LJ, Crabtree RH, Brudvig GW, Coppens P, Batista VS, Benedict JB. Interfacial electron transfer into functionalized crystalline polyoxotitanate nanoclusters. Journal of the American Chemical Society. 134: 8911-7. PMID 22548416 DOI: 10.1021/Ja301238T |
0.747 |
|
2012 |
Rivalta I, Brudvig GW, Batista VS. Oxomanganese complexes for natural and artificial photosynthesis. Current Opinion in Chemical Biology. 16: 11-8. PMID 22481113 DOI: 10.1016/J.Cbpa.2012.03.003 |
0.412 |
|
2012 |
Guard LM, Palma JL, Stratton WP, Allen LJ, Brudvig GW, Crabtree RH, Batista VS, Hazari N. Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands. Dalton Transactions (Cambridge, England : 2003). 41: 8098-110. PMID 22430933 DOI: 10.1039/C2Dt12426B |
0.703 |
|
2012 |
Araujo CM, Doherty MD, Konezny SJ, Luca OR, Usyatinsky A, Grade H, Lobkovsky E, Soloveichik GL, Crabtree RH, Batista VS. Tuning redox potentials of bis(imino)pyridine cobalt complexes: an experimental and theoretical study involving solvent and ligand effects. Dalton Transactions (Cambridge, England : 2003). 41: 3562-73. PMID 22318461 DOI: 10.1039/C2Dt12195F |
0.729 |
|
2012 |
Xiao D, Fu L, Liu J, Batista VS, Yan EC. Amphiphilic adsorption of human islet amyloid polypeptide aggregates to lipid/aqueous interfaces. Journal of Molecular Biology. 421: 537-47. PMID 22210153 DOI: 10.1016/J.Jmb.2011.12.035 |
0.517 |
|
2012 |
Xiao D, Prémont-Schwarz M, Nibbering ET, Batista VS. Ultrafast vibrational frequency shifts induced by electronic excitations: naphthols in low dielectric media. The Journal of Physical Chemistry. A. 116: 2775-90. PMID 22044113 DOI: 10.1021/Jp208426V |
0.516 |
|
2012 |
Batista VS, Crabtree RH, Konezny SJ, Luca OR, Praetorius JM. Oxidative functionalization of benzylic C-H bonds by DDQ New Journal of Chemistry. 36: 1141-1144. DOI: 10.1039/C2Nj40021A |
0.707 |
|
2012 |
Luca OR, Konezny SJ, Blakemore JD, Colosi DM, Saha S, Brudvig GW, Batista VS, Crabtree RH. A tridentate Ni pincer for aqueous electrocatalytic hydrogen production New Journal of Chemistry. 36: 1149-1152. DOI: 10.1039/C2Nj20912H |
0.728 |
|
2012 |
Anfuso CL, Xiao D, Ricks AM, Negre CFA, Batista VS, Lian T. Orientation of a series of CO2 reduction catalysts on single crystal TiO2 probed by phase-sensitive vibrational sum frequency generation spectroscopy (PS-VSFG) Journal of Physical Chemistry C. 116: 24107-24114. DOI: 10.1021/Jp307406J |
0.54 |
|
2012 |
Konezny SJ, Doherty MD, Luca OR, Crabtree RH, Soloveichik GL, Batista VS. Reduction of systematic uncertainty in DFT redox potentials of transition-metal complexes Journal of Physical Chemistry C. 116: 6349-6356. DOI: 10.1021/Jp300485T |
0.728 |
|
2012 |
Moore GF, Konezny SJ, Song HE, Milot RL, Blakemore JD, Lee ML, Batista VS, Schmuttenmaer CA, Crabtree RH, Brudvig GW. Bioinspired high-potential porphyrin photoanodes Journal of Physical Chemistry C. 116: 4892-4902. DOI: 10.1021/Jp210096M |
0.355 |
|
2012 |
Graziani FR, Batista VS, Benedict LX, Castor JI, Chen H, Chen SN, Fichtl CA, Glosli JN, Grabowski PE, Graf AT, Hau-Riege SP, Hazi AU, Khairallah SA, Krauss L, Langdon AB, et al. Large-scale molecular dynamics simulations of dense plasmas: The Cimarron Project High Energy Density Physics. 8: 105-131. DOI: 10.1016/J.Hedp.2011.06.010 |
0.307 |
|
2011 |
Batista VS, Grimme S, Reiher M. Recent progress in theoretical and computational chemistry. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 3043-4. PMID 22144371 DOI: 10.1002/Cphc.201100862 |
0.534 |
|
2011 |
Brewster TP, Ding W, Schley ND, Hazari N, Batista VS, Crabtree RH. Thiocyanate linkage isomerism in a ruthenium polypyridyl complex. Inorganic Chemistry. 50: 11938-46. PMID 22066656 DOI: 10.1021/Ic200950E |
0.741 |
|
2011 |
Prémont-Schwarz M, Xiao D, Batista VS, Nibbering ET. The O-H stretching mode of a prototypical photoacid as a local dielectric probe. The Journal of Physical Chemistry. A. 115: 10511-6. PMID 21851092 DOI: 10.1021/Jp207642K |
0.518 |
|
2011 |
Buettner KM, Snoeberger RC, Batista VS, Valentine AM. Pharmaceutical formulation affects titanocene transferrin interactions. Dalton Transactions (Cambridge, England : 2003). 40: 9580-8. PMID 21847473 DOI: 10.1039/C1Dt10805K |
0.731 |
|
2011 |
Rivalta I, Amin M, Luber S, Vassiliev S, Pokhrel R, Umena Y, Kawakami K, Shen JR, Kamiya N, Bruce D, Brudvig GW, Gunner MR, Batista VS. Structural-functional role of chloride in photosystem II. Biochemistry. 50: 6312-5. PMID 21678923 DOI: 10.1021/Bi200685W |
0.622 |
|
2011 |
Luber S, Rivalta I, Umena Y, Kawakami K, Shen JR, Kamiya N, Brudvig GW, Batista VS. S1-state model of the O2-evolving complex of photosystem II. Biochemistry. 50: 6308-11. PMID 21678908 DOI: 10.1021/Bi200681Q |
0.643 |
|
2011 |
Mohammed OF, Luber S, Batista VS, Nibbering ET. Ultrafast branching of reaction pathways in 2-(2'-hydroxyphenyl)benzothiazole in polar acetonitrile solution. The Journal of Physical Chemistry. A. 115: 7550-8. PMID 21604716 DOI: 10.1021/Jp202277T |
0.642 |
|
2011 |
Xiao D, Martini LA, Snoeberger RC, Crabtree RH, Batista VS. Inverse design and synthesis of acac-coumarin anchors for robust TiO2 sensitization. Journal of the American Chemical Society. 133: 9014-22. PMID 21553881 DOI: 10.1021/Ja2020313 |
0.772 |
|
2011 |
Anfuso CL, Snoeberger RC, Ricks AM, Liu W, Xiao D, Batista VS, Lian T. Covalent attachment of a rhenium bipyridyl CO2 reduction catalyst to Rutile TiO2. Journal of the American Chemical Society. 133: 6922-5. PMID 21504161 DOI: 10.1021/Ja2013664 |
0.782 |
|
2011 |
Luca OR, Wang T, Konezny SJ, Batista VS, Crabtree RH. DDQ as an electrocatalyst for amine dehydrogenation, a model system for virtual hydrogen storage New Journal of Chemistry. 35: 998-999. DOI: 10.1039/C0Nj01011A |
0.714 |
|
2011 |
Luo S, Rivalta I, Batista V, Truhlar DG. Noncollinear spins provide a self-consistent treatment of the low-spin state of a biomimetic oxomanganese synthetic trimer inspired by the oxygen evolving complex of photosystem II Journal of Physical Chemistry Letters. 2: 2629-2633. DOI: 10.1021/Jz201077N |
0.383 |
|
2011 |
Konezny SJ, Richter C, Snoeberger RC, Parent AR, Brudvig GW, Schmuttenmaer CA, Batista VS. Fluctuation-induced tunneling conductivity in nanoporous TiO2 thin films Journal of Physical Chemistry Letters. 2: 1931-1936. DOI: 10.1021/Jz200853V |
0.729 |
|
2010 |
Wang T, Brudvig GW, Batista VS. Study of Proton Coupled Electron Transfer in a Biomimetic Dimanganese Water Oxidation Catalyst with Terminal Water Ligands. Journal of Chemical Theory and Computation. 6: 2395-2401. PMID 20827389 DOI: 10.1021/Ct1002658 |
0.329 |
|
2010 |
Kurland MD, Newcomer MB, Peterlin Z, Ryan K, Firestein S, Batista VS. Discrimination of saturated aldehydes by the rat I7 olfactory receptor. Biochemistry. 49: 6302-4. PMID 20608641 DOI: 10.1021/Bi100976W |
0.76 |
|
2010 |
Wang T, Brudvig G, Batista VS. Characterization of proton coupled electron transfer in a biomimetic oxomanganese complex: Evaluation of the DFT B3LYP level of theory. Journal of Chemical Theory and Computation. 6: 755-760. PMID 20607115 DOI: 10.1021/Ct900615B |
0.354 |
|
2010 |
Jin S, Snoeberger RC, Issac A, Stockwell D, Batista VS, Lian T. Single-molecule interfacial electron transfer in donor-bridge-nanoparticle acceptor complexes. The Journal of Physical Chemistry. B. 114: 14309-19. PMID 20225886 DOI: 10.1021/Jp911662G |
0.746 |
|
2010 |
Li G, Sproviero EM, McNamara WR, Snoeberger RC, Crabtree RH, Brudvig GW, Batista VS. Reversible visible-light photooxidation of an oxomanganese water-oxidation catalyst covalently anchored to TiO2 nanoparticles. The Journal of Physical Chemistry. B. 114: 14214-22. PMID 19924873 DOI: 10.1021/Jp908925Z |
0.803 |
|
2010 |
McNamara WR, Milot RL, Song HE, Snoeberger RC, Batista VS, Schmuttenmaer CA, Brudvig GW, Crabtree RH. Water-stable, hydroxamate anchors for functionalization of TiO2 surfaces with ultrafast interfacial electron transfer Energy and Environmental Science. 3: 917-923. DOI: 10.1039/C001065K |
0.753 |
|
2010 |
Rego LGC, Da Silva R, Freire JA, Snoeberger RC, Batista VS. Visible light sensitization of TiO2 Surfaces with Alq3 complexes Journal of Physical Chemistry C. 114: 1317-1325. DOI: 10.1021/Jp9094479 |
0.761 |
|
2010 |
Da Silva R, Rego LGC, Freire JA, Rodriguez J, Laria D, Batista VS. Study of redox species and oxygen vacancy defects at TiO2 - Electrolyte interfaces Journal of Physical Chemistry C. 114: 19433-19442. DOI: 10.1021/Jp107385E |
0.653 |
|
2010 |
Xiao D, Snoeberger RC, Martini L, Crabtree RH, Batista VS. Inverse design of molecular chromophores for dye-sensitized solar cells Acs National Meeting Book of Abstracts. |
0.739 |
|
2009 |
Li G, Richter CP, Milot RL, Cai L, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. Synergistic effect between anatase and rutile TiO2 nanoparticles in dye-sensitized solar cells. Dalton Transactions (Cambridge, England : 2003). 10078-85. PMID 19904436 DOI: 10.1039/B908686B |
0.302 |
|
2009 |
Sproviero EM, Newcomer MB, Gascón JA, Batista ER, Brudvig GW, Batista VS. The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules. Photosynthesis Research. 102: 455-70. PMID 19633920 DOI: 10.1007/S11120-009-9467-6 |
0.789 |
|
2009 |
Jakubikova E, Snoeberger RC, Batista VS, Martin RL, Batista ER. Interfacial electron transfer in TiO(2) surfaces sensitized with Ru(II)-polypyridine complexes. The Journal of Physical Chemistry. A. 113: 12532-40. PMID 19594155 DOI: 10.1021/Jp903966N |
0.765 |
|
2009 |
Rego LG, Santos LF, Batista VS. Coherent control of quantum dynamics with sequences of unitary phase-kick pulses. Annual Review of Physical Chemistry. 60: 293-320. PMID 18999992 DOI: 10.1146/Annurev.Physchem.040808.090409 |
0.778 |
|
2009 |
Kim J, Wu Y, Brédas JL, Batista V. Quantum dynamics of the excited-state intramolecular proton transfer in 2-(2'-Hydroxyphenyl)benzothiazole Israel Journal of Chemistry. 49: 187-197. DOI: 10.1560/Ijc.49.2.187 |
0.694 |
|
2009 |
Snoeberger RC, Lian T, Batista VS. The influence of surface hydration on the interfacial electron transfer dynamics from Rhodamine B into SnO 2 Proceedings of Spie - the International Society For Optical Engineering. 7396. DOI: 10.1117/12.829483 |
0.761 |
|
2009 |
McNamara WR, Snoeberger RC, Li G, Richter C, Allen LJ, Milot RL, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. Hydroxamate anchors for water-stable attachment to TiO2 nanoparticles Energy and Environmental Science. 2: 1173-1175. DOI: 10.1039/B910241H |
0.713 |
|
2009 |
Li G, Sproviero EM, Snoeberger RC, Iguchi N, Blakemore JD, Crabtree RH, Brudvig GW, Batista VS. Deposition of an oxomanganese water oxidation catalyst on TiO2 nanoparticles: Computational modeling, assembly and characterization Energy and Environmental Science. 2: 230-238. DOI: 10.1039/B818708H |
0.794 |
|
2009 |
Rego LGC, Silva R, Freire JA, Snoeberger RC, Batista VS. Optical sensitization of anatase TiO2 with 8-hydroxyquinoline aluminum (Alq) complexes Acs National Meeting Book of Abstracts. |
0.697 |
|
2008 |
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Computational studies of the O(2)-evolving complex of photosystem II and biomimetic oxomanganese complexes. Coordination Chemistry Reviews. 252: 395-415. PMID 19190716 DOI: 10.1016/J.Ccr.2007.09.006 |
0.799 |
|
2008 |
McNamara WR, Snoeberger RC, Li G, Schleicher JM, Cady CW, Poyatos M, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. Acetylacetonate anchors for robust functionalization of TiO2 nanoparticles with Mn(II)-terpyridine complexes. Journal of the American Chemical Society. 130: 14329-38. PMID 18831585 DOI: 10.1021/Ja805498W |
0.754 |
|
2008 |
Sproviero EM, McEvoy JP, Gascón JA, Brudvig GW, Batista VS. Computational insights into the O2-evolving complex of photosystem II. Photosynthesis Research. 97: 91-114. PMID 18483777 DOI: 10.1007/S11120-008-9307-0 |
0.801 |
|
2008 |
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations. Journal of the American Chemical Society. 130: 6728-30. PMID 18457397 DOI: 10.1021/Ja801979N |
0.783 |
|
2008 |
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II. Journal of the American Chemical Society. 130: 3428-42. PMID 18290643 DOI: 10.1021/Ja076130Q |
0.794 |
|
2008 |
Sproviero EM, Shinopoulos K, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II. Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences. 363: 1149-56; discussion . PMID 17971333 DOI: 10.1098/Rstb.2007.2210 |
0.785 |
|
2008 |
Iguchi N, Cady C, Snoeberger RC, Hunter BM, Sproviero EM, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. Characterization of siloxane adsorbates covalently attached to TiO 2 Proceedings of Spie - the International Society For Optical Engineering. 7034. DOI: 10.1117/12.798938 |
0.773 |
|
2007 |
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II. Current Opinion in Structural Biology. 17: 173-80. PMID 17395452 DOI: 10.1016/J.Sbi.2007.03.015 |
0.79 |
|
2007 |
Abuabara SG, Cady CW, Baxter JB, Schmuttenmaer CA, Crabtree RH, Brudvig GW, Batista VS. Ultrafast photooxidation of Mn(II)-terpyridine complexes covalently attached to TiO2 nanoparticles Journal of Physical Chemistry C. 111: 11982-11990. DOI: 10.1021/Jp072380H |
0.326 |
|
2007 |
Chen X, Batista VS. The MP/SOFT methodology for simulations of quantum dynamics: Model study of the photoisomerization of the retinyl chromophore in visual rhodopsin Journal of Photochemistry and Photobiology a: Chemistry. 190: 274-282. DOI: 10.1016/J.Jphotochem.2007.05.015 |
0.4 |
|
2006 |
Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. QM/MM Models of the O2-Evolving Complex of Photosystem II. Journal of Chemical Theory and Computation. 2: 1119-34. PMID 26633071 DOI: 10.1021/Ct060018L |
0.785 |
|
2006 |
Gascon JA, Leung SS, Batista ER, Batista VS. A Self-Consistent Space-Domain Decomposition Method for QM/MM Computations of Protein Electrostatic Potentials. Journal of Chemical Theory and Computation. 2: 175-86. PMID 26626392 DOI: 10.1021/Ct050218H |
0.543 |
|
2006 |
Chen X, Batista VS. Matching-pursuit/split-operator-Fourier-transform simulations of excited-state nonadiabatic quantum dynamics in pyrazine. The Journal of Chemical Physics. 125: 124313. PMID 17014180 DOI: 10.1063/1.2356477 |
0.395 |
|
2006 |
Wu Y, Batista VS. Matching-pursuit split-operator Fourier-transform simulations of excited-state intramolecular proton transfer in 2-(2'-hydroxyphenyl)-oxazole. The Journal of Chemical Physics. 124: 224305. PMID 16784272 DOI: 10.1063/1.2202847 |
0.695 |
|
2006 |
Gascón JA, Sproviero EM, Batista VS. Computational studies of the primary phototransduction event in visual rhodopsin. Accounts of Chemical Research. 39: 184-93. PMID 16548507 DOI: 10.1021/Ar050027T |
0.785 |
|
2006 |
Leung K, Rempe SB, Schultz PA, Sproviero EM, Batista VS, Chandross ME, Medforth CJ. Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields. Journal of the American Chemical Society. 128: 3659-68. PMID 16536538 DOI: 10.1021/Ja056630O |
0.74 |
|
2006 |
Sproviero EM, Gascon JA, McEvoy JP, Brudvig GW, Batista VS. Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: evaluation of the DFT/B3LYP level of theory. Journal of Inorganic Biochemistry. 100: 786-800. PMID 16510187 DOI: 10.1016/J.Jinorgbio.2006.01.017 |
0.779 |
|
2006 |
Abuabara SG, Gascon JA, Leung CSY, Rego LGC, Batista VS. Force field parameters for large-scale computational modeling of sensitized TiO2 surfaces Proceedings of Spie - the International Society For Optical Engineering. 6325. DOI: 10.1117/12.677408 |
0.564 |
|
2006 |
Rego LGC, Abuabara SG, Batista VS. Coherent control of tunnelling dynamics in functionalized semiconductor nanostructures: A quantum-control scenario based on stochastic unitary pulses Journal of Modern Optics. 53: 2519-2532. DOI: 10.1080/09500340600952036 |
0.316 |
|
2006 |
Gascon JA, Leung SSF, Batista ER, Batista VS. A self-consistent space-domain decomposition method for QM/MM computations of protein electrostatic potentials Journal of Chemical Theory and Computation. 2: 175-186. DOI: 10.1021/ct050218h |
0.437 |
|
2005 |
Gascón JA, Sproviero EM, Batista VS. QM/MM Study of the NMR Spectroscopy of the Retinyl Chromophore in Visual Rhodopsin. Journal of Chemical Theory and Computation. 1: 674-85. PMID 26641690 DOI: 10.1021/Ct0500850 |
0.78 |
|
2005 |
Abuabara SG, Rego LG, Batista VS. Influence of thermal fluctuations on interfacial electron transfer in functionalized TiO2 semiconductors. Journal of the American Chemical Society. 127: 18234-42. PMID 16366577 DOI: 10.1021/Ja055185U |
0.806 |
|
2005 |
McEvoy JP, Gascon JA, Batista VS, Brudvig GW. The mechanism of photosynthetic water splitting. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 4: 940-9. PMID 16307106 DOI: 10.1039/B506755C |
0.577 |
|
2005 |
Rego LG, Abuabara SG, Batista VS. Model study of coherent quantum dynamics of hole states in functionalized semiconductor nanostructures. The Journal of Chemical Physics. 122: 154709. PMID 15945658 DOI: 10.1063/1.1873712 |
0.815 |
|
2005 |
Wu Y, Herman MF, Batista VS. Matching-pursuit/split-operator Fourier-transform simulations of nonadiabatic quantum dynamics. The Journal of Chemical Physics. 122: 114114. PMID 15836208 DOI: 10.1063/1.1881132 |
0.675 |
|
2005 |
Spanner M, Batista VS, Brumer P. Is the Filinov integral conditioning technique useful in semiclassical initial value representation methods? The Journal of Chemical Physics. 122: 84111. PMID 15836024 DOI: 10.1063/1.1854634 |
0.485 |
|
2005 |
Chen X, Wu Y, Batista VS. Matching-pursuit/split-operator-Fourier-transform computations of thermal correlation functions. The Journal of Chemical Physics. 122: 064102. PMID 15740362 DOI: 10.1063/1.1848513 |
0.671 |
|
2004 |
Gascon JA, Batista VS. QM/MM study of energy storage and molecular rearrangements due to the primary event in vision. Biophysical Journal. 87: 2931-41. PMID 15339806 DOI: 10.1529/Biophysj.104.048264 |
0.582 |
|
2004 |
Wu Y, Batista VS. Quantum tunneling dynamics in multidimensional systems: a matching-pursuit description. The Journal of Chemical Physics. 121: 1676-80. PMID 15260718 DOI: 10.1063/1.1766298 |
0.682 |
|
2003 |
Rego LG, Batista VS. Quantum dynamics simulations of interfacial electron transfer in sensitized TiO2 semiconductors. Journal of the American Chemical Society. 125: 7989-97. PMID 12823021 DOI: 10.1021/Ja0346330 |
0.807 |
|
2003 |
Wu Y, Batista VS. Erratum: “Matching-pursuit for simulations of quantum processes” [J. Chem. Phys. 118, 6720 (2003)] The Journal of Chemical Physics. 119: 7606-7606. DOI: 10.1063/1.1607316 |
0.653 |
|
2003 |
Wu Y, Batista VS. Matching-pursuit for simulations of quantum processes Journal of Chemical Physics. 118: 6720-6724. DOI: 10.1063/1.1560636 |
0.674 |
|
2002 |
Batista VS, Brumer P. Coherent control in the presence of intrinsic decoherence: proton transfer in large molecular systems. Physical Review Letters. 89: 143201. PMID 12366043 DOI: 10.1103/Physrevlett.89.143201 |
0.544 |
|
2002 |
Guallar V, Harris DL, Batista VS, Miller WH. Proton-transfer dynamics in the activation of cytochrome P450eryF. Journal of the American Chemical Society. 124: 1430-7. PMID 11841312 DOI: 10.1021/Ja016474V |
0.501 |
|
2002 |
Batista VS, Brumer P. Erratum: Coherent Control in the Presence of Intrinsic Decoherence: Proton Transfer in Large Molecular Systems [Phys. Rev. Lett.PRLTAO0031-900789, 143201 (2002)] Physical Review Letters. 89. DOI: 10.1103/Physrevlett.89.249903 |
0.517 |
|
2002 |
Burant JC, Batista VS. Real time path integrals using the Herman-Kluk propagator Journal of Chemical Physics. 116: 2748-2756. DOI: 10.1063/1.1436306 |
0.311 |
|
2002 |
Wu Y, Batista VS. Semiclassical molecular dynamics simulations of the excited state photodissociation dynamics of H2O in the A1B1 band Journal of Physical Chemistry B. 106: 8271-8277. DOI: 10.1021/Jp0207735 |
0.69 |
|
2001 |
Batista VS, Brumer P. A direct approach to one photon interference contributions in the coherent control of photodissociation Journal of Chemical Physics. 114: 10321. DOI: 10.1063/1.1372713 |
0.508 |
|
2001 |
Batista VS, Brumer P. Semiclassical dynamics in the coherent control of nonadiabatic ICN photodissociation Journal of Physical Chemistry A. 105: 2591-2598. DOI: 10.1021/Jp0035939 |
0.516 |
|
2000 |
Coronado EA, Batista VS, Miller WH. Nonadiabatic photodissociation dynamics ofICNin the à continuum: A semiclassical initial value representation study The Journal of Chemical Physics. 112: 5566-5575. DOI: 10.1063/1.481130 |
0.341 |
|
2000 |
Coronado EA, Batista VS, Miller WH. Nonadiabatic photodissociation dynamics of ICN in the à continuum: A semiclassical initial value representation study Journal of Chemical Physics. 112: 5566-5575. DOI: 10.1063/1.481130 |
0.487 |
|
2000 |
Guallar V, Batista VS, Miller WH. Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2′-hydroxyphenyl)-oxazole Journal of Chemical Physics. 113: 9510-9522. DOI: 10.1063/1.1321049 |
0.505 |
|
1999 |
Guallar V, Batista VS, Miller WH. Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers The Journal of Chemical Physics. 110: 9922-9936. DOI: 10.1063/1.478866 |
0.409 |
|
1999 |
Guallar V, Batista VS, Miller WH. Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers Journal of Chemical Physics. 110: 9922-9936. DOI: 10.1063/1.478866 |
0.51 |
|
1999 |
Batista VS, Coker DF. Erratum: “On nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I2−⋅Arn cluster ions” [J. Chem. Phys. 106, 7102 (1997)] The Journal of Chemical Physics. 110: 6583-6584. DOI: 10.1063/1.478561 |
0.543 |
|
1999 |
Zanni MT, Batista VS, Greenblatt BJ, Miller WH, Neumark DM. Femtosecond photoelectron spectroscopy of the I- 2 anion: Characterization of the Ã′ 2Πg,1/2 excited state Journal of Chemical Physics. 110: 3748-3755. DOI: 10.1063/1.478264 |
0.466 |
|
1999 |
Batista VS, Zanni MT, Greenblatt BJ, Neumark DM, Miller WH. Femtosecond photoelectron spectroscopy of the I- 2 anion: A semiclassical molecular dynamics simulation method Journal of Chemical Physics. 110: 3736-3747. DOI: 10.1063/1.478263 |
0.504 |
|
1998 |
Batista VS, Miller WH. Semiclassical molecular dynamics simulations of ultrafast photodissociation dynamics associated with the Chappuis band of ozone The Journal of Chemical Physics. 108: 498-510. DOI: 10.1063/1.475413 |
0.504 |
|
1997 |
Batista VS, Coker DF. Nonadiabatic molecular dynamics simulation of ultrafast pump-probe experiments on I2 in solid rare gases The Journal of Chemical Physics. 106: 6923-6941. DOI: 10.1063/1.473717 |
0.629 |
|
1996 |
Batista VS, Coker DF. Nonadiabatic molecular dynamics simulation of photodissociation and geminate recombination of I2liquid xenon The Journal of Chemical Physics. 105: 4033-4054. DOI: 10.1063/1.472277 |
0.639 |
|
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