| Year |
Citation |
Score |
| 2023 |
Kumari S, Alexandrova AN, Sautet P. Nature of Zirconia on a Copper Inverse Catalyst Under CO Hydrogenation Conditions. Journal of the American Chemical Society. PMID 37977567 DOI: 10.1021/jacs.3c09947 |
0.516 |
|
| 2023 |
Cendejas MC, Paredes Mellone OA, Kurumbail U, Zhang Z, Jansen JH, Ibrahim F, Dong S, Vinson J, Alexandrova AN, Sokaras D, Bare SR, Hermans I. Tracking Active Phase Behavior on Boron Nitride during the Oxidative Dehydrogenation of Propane Using Operando X-ray Raman Spectroscopy. Journal of the American Chemical Society. PMID 37931025 DOI: 10.1021/jacs.3c08679 |
0.583 |
|
| 2023 |
Zhang Z, Hermans I, Alexandrova AN. Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane. Journal of the American Chemical Society. 145: 17265-17273. PMID 37506379 DOI: 10.1021/jacs.3c04613 |
0.602 |
|
| 2023 |
Wan C, Zhang Z, Dong J, Xu M, Pu H, Baumann D, Lin Z, Wang S, Huang J, Shah AH, Pan X, Hu T, Alexandrova AN, Huang Y, Duan X. Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction. Nature Materials. PMID 37349398 DOI: 10.1038/s41563-023-01584-3 |
0.59 |
|
| 2023 |
Zito AM, Clarke LE, Barlow JM, Bím D, Zhang Z, Ripley KM, Li CJ, Kummeth A, Leonard ME, Alexandrova AN, Brushett FR, Yang JY. Electrochemical Carbon Dioxide Capture and Concentration. Chemical Reviews. PMID 37343385 DOI: 10.1021/acs.chemrev.2c00681 |
0.518 |
|
| 2023 |
Cheng D, Wei Z, Zhang Z, Broekmann P, Alexandrova AN, Sautet P. Restructuring and Activation of Cu (111) under Electrocatalytic Reduction Conditions. Angewandte Chemie (International Ed. in English). e202218575. PMID 36922903 DOI: 10.1002/anie.202218575 |
0.635 |
|
| 2023 |
Zhang Z, Masubuchi T, Sautet P, Anderson SL, Alexandrova AN. Hydrogen Evolution on Electrode-Supported Ptn Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity. Angewandte Chemie (International Ed. in English). e202218210. PMID 36920979 DOI: 10.1002/anie.202218210 |
0.686 |
|
| 2023 |
Kumari S, Masubuchi T, White HS, Alexandrova A, Anderson SL, Sautet P. Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Pt Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt Hydride Species. Journal of the American Chemical Society. 145: 5834-5845. PMID 36867416 DOI: 10.1021/jacs.2c13063 |
0.495 |
|
| 2022 |
Zhang Z, Wei Z, Sautet P, Alexandrova AN. Hydrogen-Induced Restructuring of a Cu(100) Electrode in Electroreduction Conditions. Journal of the American Chemical Society. 144: 19284-19293. PMID 36227161 DOI: 10.1021/jacs.2c06188 |
0.652 |
|
| 2022 |
Barlow JM, Clarke LE, Zhang Z, Bím D, Ripley KM, Zito A, Brushett FR, Alexandrova AN, Yang JY. Molecular design of redox carriers for electrochemical CO capture and concentration. Chemical Society Reviews. PMID 36128984 DOI: 10.1039/d2cs00367h |
0.549 |
|
| 2022 |
Lavroff RH, Morgan HWT, Zhang Z, Poths P, Alexandrova AN. Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between. Chemical Science. 13: 8003-8016. PMID 35919426 DOI: 10.1039/d2sc01367c |
0.597 |
|
| 2022 |
Zhang Z, Kummeth AL, Yang JY, Alexandrova AN. Inverse molecular design of alkoxides and phenoxides for aqueous direct air capture of CO. Proceedings of the National Academy of Sciences of the United States of America. 119: e2123496119. PMID 35709322 DOI: 10.1073/pnas.2123496119 |
0.568 |
|
| 2020 |
Guo H, Dickerson CE, Shin AJ, Zhao C, Atallah TL, Caram JR, Campbell WC, Alexandrova AN. Surface chemical trapping of optical cycling centers. Physical Chemistry Chemical Physics : Pccp. PMID 33325472 DOI: 10.1039/D0Cp04525J |
0.33 |
|
| 2020 |
Deng J, Lin SC, Fuller J, Iñiguez JA, Xiang D, Yang D, Chan G, Chen HM, Alexandrova AN, Liu C. Ambient methane functionalization initiated by electrochemical oxidation of a vanadium (V)-oxo dimer. Nature Communications. 11: 3686. PMID 32703955 DOI: 10.1038/S41467-020-17494-W |
0.332 |
|
| 2020 |
Venegas JM, Zhang Z, Agbi TO, McDermott WP, Alexandrova A, Hermans I. Why Boron Nitride is such a Selective Catalyst for the Oxidative Dehydrogenation of Propane. Angewandte Chemie (International Ed. in English). PMID 32573006 DOI: 10.1002/Anie.202003695 |
0.62 |
|
| 2020 |
Liu G, Poths P, Zhang X, Zhu Z, Marshall M, Blankenhorn M, Alexandrova AN, Bowen KH. CO Hydrogenation to Formate and Formic Acid by Bimetallic Palladium-Copper Hydride Clusters. Journal of the American Chemical Society. PMID 32250623 DOI: 10.1021/Jacs.0C01855 |
0.405 |
|
| 2020 |
Guo H, Sautet P, Alexandrova AN. Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling. The Journal of Physical Chemistry Letters. 3089-3094. PMID 32227852 DOI: 10.1021/Acs.Jpclett.0C00548 |
0.556 |
|
| 2020 |
Robinson PJ, Munarriz J, Valentine ME, Granmoe A, Drichko N, Chamorro JR, Rosa PF, McQueen TM, Alexandrova AN. Dynamical Bonding Driving Mixed Valency in a Metal Boride. Angewandte Chemie (International Ed. in English). PMID 32202032 DOI: 10.1002/Anie.202000945 |
0.325 |
|
| 2020 |
Zhang Z, Zandkarimi B, Alexandrova AN. Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces. Accounts of Chemical Research. PMID 31977181 DOI: 10.1021/Acs.Accounts.9B00531 |
0.647 |
|
| 2020 |
Li G, Zandkarimi B, Cass AC, Gorey TJ, Allen BJ, Alexandrova AN, Anderson SL. Sn-modification of Pt/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability. The Journal of Chemical Physics. 152: 024702. PMID 31941332 DOI: 10.1063/1.5129686 |
0.405 |
|
| 2020 |
Fuhr AS, Alexandrova AN, Sautet P. Stoichiometry-controllable optical defects in CuxIn2−xSy quantum dots for energy harvesting Journal of Materials Chemistry. 8: 12556-12565. DOI: 10.1039/D0Ta03954C |
0.487 |
|
| 2020 |
Sun G, Alexandrova AN, Sautet P. Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation Acs Catalysis. 10: 5309-5317. DOI: 10.1021/Acscatal.0C00824 |
0.526 |
|
| 2020 |
Alexandrova AN, Liu Z-, Schmidt JR, Schneider WF, Solomon GC. Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry C Journal of Physical Chemistry C. 124: 13509-13510. DOI: 10.1021/Acs.Jpcc.0C04150 |
0.505 |
|
| 2020 |
Zandkarimi B, Alexandrova AN. Can Fluxionality of Subnanometer Cluster Catalysts Solely Cause Non-Arrhenius Behavior in Catalysis? Journal of Physical Chemistry C. 124: 19556-19562. DOI: 10.1021/Acs.Jpcc.0C04136 |
0.345 |
|
| 2020 |
Zandkarimi B, Sun G, Halder A, Seifert S, Vajda S, Sautet P, Alexandrova AN. Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight The Journal of Physical Chemistry C. 124: 10057-10066. DOI: 10.1021/Acs.Jpcc.0C02823 |
0.533 |
|
| 2020 |
Zandkarimi B, Gorey TJ, Li G, Munarriz J, Anderson SL, Alexandrova AN. Alloying with Sn Suppresses Sintering of Size-Selected Subnano Pt Clusters on SiO2 with and without Adsorbates Chemistry of Materials. DOI: 10.1021/Acs.Chemmater.0C02926 |
0.355 |
|
| 2020 |
Halder A, Ha M, Zhai H, Yang B, Pellin MJ, Seifert S, Alexandrova AN, Vajda S. Front Cover: Oxidative Dehydrogenation of Cyclohexane by Cu
vs
Pd Clusters: Selectivity Control by Specific Cluster Dynamics (ChemCatChem 5/2020) Chemcatchem. 12: 1244-1244. DOI: 10.1002/Cctc.202000063 |
0.322 |
|
| 2020 |
Halder A, Ha M, Zhai H, Yang B, Pellin MJ, Seifert S, Alexandrova AN, Vajda S. Oxidative Dehydrogenation of Cyclohexane by Cu
vs
Pd Clusters: Selectivity Control by Specific Cluster Dynamics Chemcatchem. 12: 1307-1315. DOI: 10.1002/Cctc.201901795 |
0.32 |
|
| 2019 |
Kang K, Fuller J, Reath AH, Ziller JW, Alexandrova AN, Yang JY. Installation of internal electric fields by non-redox active cations in transition metal complexes. Chemical Science. 10: 10135-10142. PMID 32015820 DOI: 10.1039/C9Sc02870F |
0.329 |
|
| 2019 |
Sun G, Alexandrova AN, Sautet P. Pt cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization. The Journal of Chemical Physics. 151: 194703. PMID 31757161 DOI: 10.1063/1.5129296 |
0.565 |
|
| 2019 |
Axtell JC, Messina MS, Liu JY, Galaktionova D, Schwan J, Porter TM, Savage MD, Wixtrom AI, Rheingold AL, Kubiak CP, Winkler JR, Gray HB, Král P, Alexandrova AN, Spokoyny AM. Photooxidative Generation of Dodecaborate-Based Weakly Coordinating Anions. Inorganic Chemistry. PMID 31247818 DOI: 10.1021/Acs.Inorgchem.9B00935 |
0.302 |
|
| 2019 |
Hou B, Shen L, Shi H, Chen J, Zhao B, Li K, Wang Y, Shen G, Ha MA, Liu F, Alexandrova AN, Hung WH, Dawlaty JM, Christopher P, Cronin SB. Resonant and Selective Excitation of Photocatalytically Active Defect Sites in TiO2. Acs Applied Materials & Interfaces. PMID 30768239 DOI: 10.1021/Acsami.8B12621 |
0.31 |
|
| 2019 |
Zandkarimi B, Alexandrova AN. Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis. The Journal of Physical Chemistry Letters. PMID 30633531 DOI: 10.1021/Acs.Jpclett.8B03680 |
0.379 |
|
| 2019 |
Jimenez-Izal E, Gates BC, Alexandrova AN. Designing clusters for heterogeneous catalysis Physics Today. 72: 38-43. DOI: 10.1063/Pt.3.4248 |
0.331 |
|
| 2019 |
Jimenez-Izal E, Zhai H, Liu J, Alexandrova AN. Correction to “Nanoalloying MgO–Deposited Pt Clusters with Si To Control the Selectivity of Alkane Dehydrogenation” Acs Catalysis. 9: 3877-3877. DOI: 10.1021/Acscatal.9B01161 |
0.324 |
|
| 2019 |
Gorey TJ, Zandkarimi B, Li G, Baxter ET, Alexandrova AN, Anderson SL. Preparation of Size- and Composition-Controlled PtnSnx/SiO2 (n = 4, 7, 24) Bimetallic Model Catalysts with Atomic Layer Deposition The Journal of Physical Chemistry C. 123: 16194-16209. DOI: 10.1021/Acs.Jpcc.9B02745 |
0.388 |
|
| 2019 |
Fuhr AS, Sautet P, Alexandrova AN. Heterogeneity in Local Chemical Bonding Explains Spectral Broadening in Quantum Dots with Cu Impurities The Journal of Physical Chemistry C. 123: 5705-5713. DOI: 10.1021/Acs.Jpcc.8B12023 |
0.499 |
|
| 2019 |
Liu J, Gong X, Alexandrova AN. Mechanism of CO2 Photocatalytic Reduction to Methane and Methanol on Defected Anatase TiO2 (101): A Density Functional Theory Study The Journal of Physical Chemistry C. 123: 3505-3511. DOI: 10.1021/Acs.Jpcc.8B09539 |
0.312 |
|
| 2019 |
Jimenez-Izal E, Liu J, Alexandrova AN. Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation Journal of Catalysis. 374: 93-100. DOI: 10.1016/J.Jcat.2019.04.034 |
0.383 |
|
| 2019 |
Zandkarimi B, Alexandrova AN. Surface‐supported cluster catalysis: Ensembles of metastable states run the show Wiley Interdisciplinary Reviews: Computational Molecular Science. 9. DOI: 10.1002/Wcms.1420 |
0.328 |
|
| 2019 |
Zhai H, Sautet P, Alexandrova AN. Global Optimization of Adsorbate Covered Supported Cluster Catalysts: The Case of Pt
7
H
10
CH
3
on α‐Al
2
O
3 Chemcatchem. 12: 762-770. DOI: 10.1002/Cctc.201901830 |
0.517 |
|
| 2018 |
Zhang Z, Jimenez-Izal E, Hermans I, Alexandrova AN. Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride in Conditions of Oxidative Dehydrogenation of Propane. The Journal of Physical Chemistry Letters. PMID 30557024 DOI: 10.1021/Acs.Jpclett.8B03373 |
0.623 |
|
| 2018 |
Zhai H, Alexandrova AN. Correction to "Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt on AlO". The Journal of Physical Chemistry Letters. 6011. PMID 30281313 DOI: 10.1021/Acs.Jpclett.8B03007 |
0.353 |
|
| 2018 |
Zhai H, Alexandrova AN. Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pton AlO. The Journal of Physical Chemistry Letters. 1696-1702. PMID 29551071 DOI: 10.1021/Acs.Jpclett.8B00379 |
0.395 |
|
| 2018 |
Jimenez-Izal E, Alexandrova AN. Computational Design of Clusters for Catalysis. Annual Review of Physical Chemistry. PMID 29490204 DOI: 10.1146/Annurev-Physchem-050317-014216 |
0.372 |
|
| 2018 |
Thomas JC, Goronzy DP, Serino AC, Auluck HS, Irving OR, Jimenez-Izal E, Deirmenjian J, Machacek J, Sautet P, Alexandrova AN, Base T, Weiss PS. Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can. Acs Nano. PMID 29393628 DOI: 10.1021/Acsnano.7B09011 |
0.487 |
|
| 2018 |
Jimenez-Izal E, Zhai H, Liu J, Alexandrova AN. Nanoalloying MgO-Deposited Pt Clusters with Si To Control the Selectivity of Alkane Dehydrogenation Acs Catalysis. 8: 8346-8356. DOI: 10.1021/Acscatal.8B02443 |
0.388 |
|
| 2018 |
Popov IA, Jimenez-Izal E, Alexandrova AN, Boldyrev AI. Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO The Journal of Physical Chemistry C. 122: 11933-11937. DOI: 10.1021/Acs.Jpcc.8B03118 |
0.507 |
|
| 2018 |
Baxter ET, Ha M, Cass AC, Zhai H, Alexandrova AN, Anderson SL. Diborane Interactions with Pt7/Alumina: Preparation of Size-Controlled Borated Pt Model Catalysts The Journal of Physical Chemistry C. 122: 1631-1644. DOI: 10.1021/Acs.Jpcc.7B10423 |
0.383 |
|
| 2017 |
Ha MA, Baxter ET, Cass A, Anderson SL, Alexandrova AN. Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt clusters on Al2O3. Journal of the American Chemical Society. PMID 28756661 DOI: 10.1021/Jacs.7B05894 |
0.392 |
|
| 2017 |
Cui ZH, Jimenez-Izal E, Alexandrova AN. Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity. The Journal of Physical Chemistry Letters. PMID 28247758 DOI: 10.1021/Acs.Jpclett.7B00275 |
0.317 |
|
| 2017 |
Robinson PJ, Zhang X, McQueen TM, Bowen KH, Alexandrova AN. SmB6(-) Cluster Anion: Covalency Involving f-Orbitals. The Journal of Physical Chemistry. A. PMID 28182423 DOI: 10.1021/Acs.Jpca.7B00247 |
0.382 |
|
| 2017 |
Baxter ET, Ha M, Cass AC, Alexandrova AN, Anderson SL. Ethylene Dehydrogenation on Pt4,7,8 Clusters on Al2O3: Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies Acs Catalysis. 7: 3322-3335. DOI: 10.1021/Acscatal.7B00409 |
0.393 |
|
| 2017 |
Zhai H, Alexandrova AN. Fluxionality of Catalytic Clusters: When It Matters and How to Address It Acs Catalysis. 7: 1905-1911. DOI: 10.1021/Acscatal.6B03243 |
0.428 |
|
| 2017 |
Alexandrova AN. Divide-and-Conquer Chemical Bonding Models for Materials: A Tool for Materials Design at the Electronic Level Chemistry of Materials. 29: 8555-8565. DOI: 10.1021/Acs.Chemmater.7B03138 |
0.327 |
|
| 2016 |
Zhai H, Alexandrova AN. Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization. Journal of Chemical Theory and Computation. 12: 6213-6226. PMID 27951667 DOI: 10.1021/Acs.Jctc.6B00994 |
0.37 |
|
| 2016 |
Ugalde JM, Bultinck P, Bickelhaupt FM, Alexandrova AN. 4th International Conference on Chemical Bonding. The Journal of Physical Chemistry. A. 120: 9353-9356. PMID 27934326 DOI: 10.1021/Acs.Jpca.6B11179 |
0.378 |
|
| 2016 |
Valdez CE, Morgenstern A, Eberhart ME, Alexandrova AN. Predictive methods for computational metalloenzyme redesign - a test case with carboxypeptidase A. Physical Chemistry Chemical Physics : Pccp. PMID 27841396 DOI: 10.1039/C6Cp02247B |
0.308 |
|
| 2016 |
Zhang X, Ganteför G, Alexandrova AN, Bowen K. Photoelectron spectroscopic and computational study of the PtMgH3,5(-) cluster anions. Physical Chemistry Chemical Physics : Pccp. PMID 27373793 DOI: 10.1039/C6Cp03243E |
0.388 |
|
| 2016 |
Messina MS, Axtell JC, Wang Y, Chong P, Wixtrom AI, Kirlikovali KO, Upton BM, Hunter BM, Shafaat OS, Khan SI, Winkler JR, Gray HB, Alexandrova AN, Maynard HD, Spokoyny AM. Visible Light-Induced Olefin Activation using 3D Aromatic Boron-Rich Cluster Photooxidants. Journal of the American Chemical Society. PMID 27186856 DOI: 10.1021/Jacs.6B03568 |
0.366 |
|
| 2016 |
Ha MA, Alexandrova AN. Oxygen Vacancies of Anatase 101: Extreme Sensitivity to the Density Functional Theory Method. Journal of Chemical Theory and Computation. PMID 27163165 DOI: 10.1021/Acs.Jctc.6B00095 |
0.318 |
|
| 2015 |
Qiu J, Zeng G, Ha MA, Ge M, Lin Y, Hettick M, Hou B, Alexandrova AN, Javey A, Cronin SB. Correction to Artificial Photosynthesis on TiO2-Passivated InP Nanopillars. Nano Letters. PMID 26689351 DOI: 10.1021/Acs.Nanolett.5B05117 |
0.32 |
|
| 2015 |
Robinson PJ, Alexandrova AN. Assessing the Bonding Properties of Individual Molecular Orbitals. The Journal of Physical Chemistry. A. PMID 26616443 DOI: 10.1021/Acs.Jpca.5B09687 |
0.368 |
|
| 2015 |
Zhai H, Ha MA, Alexandrova AN. AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum Search. Journal of Chemical Theory and Computation. 11: 2385-93. PMID 26574433 DOI: 10.1021/Acs.Jctc.5B00065 |
0.372 |
|
| 2015 |
Jimenez-Izal E, Alexandrova AN. σ-Aromaticity in polyhydride complexes of Ru, Ir, Os, and Pt. Physical Chemistry Chemical Physics : Pccp. PMID 26414992 DOI: 10.1039/C5Cp04330A |
0.359 |
|
| 2015 |
Zhang X, Robinson PJ, Ganteför G, Alexandrova A, Bowen KH. Photoelectron spectroscopic and theoretical study of the [HPd(η(2)-H2)](-) cluster anion. The Journal of Chemical Physics. 143: 094307. PMID 26342370 DOI: 10.1063/1.4929998 |
0.315 |
|
| 2015 |
Nechay MR, Valdez CE, Alexandrova AN. Computational treatment of metalloproteins. The Journal of Physical Chemistry. B. 119: 5945-56. PMID 25839835 DOI: 10.1021/Acs.Jpcb.5B00028 |
0.311 |
|
| 2015 |
Nandula A, Trinh QT, Saeys M, Alexandrova AN. Origin of extraordinary stability of square-planar carbon atoms in surface carbides of cobalt and nickel. Angewandte Chemie (International Ed. in English). 54: 5312-6. PMID 25809134 DOI: 10.1002/Anie.201501049 |
0.32 |
|
| 2015 |
Shen L, Dadras J, Alexandrova AN. Correction: Pure and Zn-doped Pt clusters go flat and upright on MgO(100). Physical Chemistry Chemical Physics : Pccp. 17: 11109. PMID 25806707 DOI: 10.1039/C5Cp90048D |
0.327 |
|
| 2015 |
Nedd S, Alexandrova AN. The mechanism of the Pd-catalyzed formation of coumarins: a theoretical study. Physical Chemistry Chemical Physics : Pccp. 17: 1347-53. PMID 25424329 DOI: 10.1039/C4Cp03418J |
0.306 |
|
| 2015 |
Dadras J, Shen L, Alexandrova A. Pt-Zn clusters on stoichiometric MgO(100) and TiO2(110): Dramatically different sintering behavior Journal of Physical Chemistry C. 119: 6047-6055. DOI: 10.1021/Jp512277X |
0.392 |
|
| 2015 |
Dadras J, Jimenez-Izal E, Alexandrova AN. Alloying Pt Sub-nano-clusters with Boron: Sintering Preventative and Coke Antagonist? Acs Catalysis. 5: 5719-5727. DOI: 10.1021/Acscatal.5B01513 |
0.39 |
|
| 2015 |
Ha M, Dadras J, Alexandrova AN. Correction to Rutile-Deposited Pt–Pd Clusters: A Hypothesis Regarding the Stability at 50/50 Ratio Acs Catalysis. 5: 2910-2910. DOI: 10.1021/Acscatal.5B00578 |
0.393 |
|
| 2015 |
Qiu J, Zeng G, Ha MA, Hou B, Mecklenburg M, Shi H, Alexandrova AN, Cronin SB. Microscopic Study of Atomic Layer Deposition of TiO2 on GaAs and Its Photocatalytic Application Chemistry of Materials. 27: 7977-7981. DOI: 10.1021/Acs.Chemmater.5B03246 |
0.302 |
|
| 2014 |
Zhang X, Liu G, Ganteför G, Bowen KH, Alexandrova AN. PtZnH5(-), A σ-Aromatic Cluster. The Journal of Physical Chemistry Letters. 5: 1596-601. PMID 26270102 DOI: 10.1021/Jz500322N |
0.395 |
|
| 2014 |
Shen L, Dadras J, Alexandrova AN. Pure and Zn-doped Pt clusters go flat and upright on MgO(100). Physical Chemistry Chemical Physics : Pccp. 16: 26436-42. PMID 24901602 DOI: 10.1039/C4Cp01877J |
0.418 |
|
| 2014 |
Zhang X, Ganteför G, Bowen KH, Alexandrova AN. The PtAl(-) and PtAl2(-) anions: theoretical and photoelectron spectroscopic characterization. The Journal of Chemical Physics. 140: 164316. PMID 24784279 DOI: 10.1063/1.4873160 |
0.351 |
|
| 2014 |
Ha MA, Dadras J, Alexandrova A. Rutile-deposited Pt-Pd clusters: A hypothesis regarding the stability at 50/50 ratio Acs Catalysis. 4: 3570-3580. DOI: 10.1021/Cs5011426 |
0.356 |
|
| 2013 |
Sparta M, Valdez CE, Alexandrova AN. Metal-dependent activity of Fe and Ni acireductone dioxygenases: How two electrons reroute the catalytic pathway Journal of Molecular Biology. 425: 3007-3018. PMID 23680285 DOI: 10.1016/J.Jmb.2013.05.001 |
0.331 |
|
| 2013 |
Baraldi C, Freguglia G, Tinti A, Sparta M, Alexandrova AN, Gamberini MC. IR, Raman and SERS spectra of propantheline bromide Spectrochimica Acta - Part a: Molecular and Biomolecular Spectroscopy. 103: 1-10. PMID 23228825 DOI: 10.1016/J.Saa.2012.10.070 |
0.306 |
|
| 2013 |
Zhang J, Alexandrova AN. The golden crown: A single Au atom that boosts the CO oxidation catalyzed by a palladium cluster on titania surfaces Journal of Physical Chemistry Letters. 4: 2250-2255. DOI: 10.1021/Jz400981A |
0.361 |
|
| 2013 |
Alexandrova AN, Nechay MR, Lydon BR, Buchan DP, Yeh AJ, Tai MH, Kostrikin IP, Gabrielyan L. The same in the bulk but different as clusters: X(X = B, Al, Ga; Y = P, As) Chemical Physics Letters. 588: 37-42. DOI: 10.1016/J.Cplett.2013.10.003 |
0.35 |
|
| 2012 |
Zhang J, Alexandrova AN. Double σ-Aromaticity in a Surface-Deposited Cluster: Pd4 on TiO2 (110). The Journal of Physical Chemistry Letters. 3: 751-4. PMID 26286284 DOI: 10.1021/Jz300158S |
0.341 |
|
| 2012 |
Sparta M, Shirvanyants D, Ding F, Dokholyan NV, Alexandrova AN. Hybrid dynamics simulation engine for metalloproteins Biophysical Journal. 103: 767-776. PMID 22947938 DOI: 10.1016/J.Bpj.2012.06.024 |
0.323 |
|
| 2012 |
Kuznetsov VI, Alexandrova AN, Hengge AC. Metavanadate at the active site of the phosphatase VHZ Journal of the American Chemical Society. 134: 14298-14301. PMID 22876963 DOI: 10.1021/Ja305579H |
0.314 |
|
| 2012 |
Alexandrova AN, Nayhouse MJ, Huynh MT, Kuo JL, Melkonian AV, Chavez G, Hernando NM, Kowal MD, Liu CP. Selected AB4(2-/-) (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn4(2-/-). Physical Chemistry Chemical Physics : Pccp. 14: 14815-21. PMID 22868353 DOI: 10.1039/C2Cp41821E |
0.347 |
|
| 2012 |
Zhang J, Sergeeva AP, Sparta M, Alexandrova AN. B13+ : a photodriven molecular Wankel engine. Angewandte Chemie (International Ed. in English). 51: 8512-5. PMID 22777910 DOI: 10.1002/Anie.201202674 |
0.633 |
|
| 2012 |
Alexandrova AN. Tug of war between AO-hybridization and aromaticity in dictating structures of Li-doped alkali clusters Chemical Physics Letters. 533: 1-5. DOI: 10.1016/J.Cplett.2012.02.075 |
0.368 |
|
| 2012 |
Zhang J, Sergeeva AP, Sparta M, Alexandrova AN. B 13 +: A photodriven molecular Wankel engine Angewandte Chemie - International Edition. 51: 8512-8515. DOI: 10.1002/anie.201202674 |
0.595 |
|
| 2011 |
Zhang J, Alexandrova AN. Structure, stability, and mobility of small Pd clusters on the stoichiometric and defective TiO2 (110) surfaces. The Journal of Chemical Physics. 135: 174702. PMID 22070312 DOI: 10.1063/1.3657833 |
0.339 |
|
| 2011 |
Alexandrova AN, Jorgensen WL. On the mechanism and rate of spontaneous decomposition of amino acids. The Journal of Physical Chemistry. B. 115: 13624-32. PMID 21995727 DOI: 10.1021/Jp2081808 |
0.482 |
|
| 2011 |
Alexandrova AN, Boldyrev AI, Li X, Sarkas HW, Hendricks JH, Arnold ST, Bowen KH. Lithium cluster anions: photoelectron spectroscopy and ab initio calculations. The Journal of Chemical Physics. 134: 044322. PMID 21280740 DOI: 10.1063/1.3532832 |
0.543 |
|
| 2011 |
Huynh MT, Alexandrova AN. Persistent covalency and planarity in the BnAl 6-n 2- and LiBnAl6-n - (n = 0-6) cluster ions Journal of Physical Chemistry Letters. 2: 2046-2051. DOI: 10.1021/Jz200865U |
0.383 |
|
| 2010 |
Alexandrova AN. H·(H2O)n clusters: microsolvation of the hydrogen atom via molecular ab initio gradient embedded genetic algorithm (GEGA). The Journal of Physical Chemistry. A. 114: 12591-9. PMID 21077611 DOI: 10.1021/Jp1092543 |
0.355 |
|
| 2010 |
Alexandrova AN, Tully JC, Granucci G. Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics. The Journal of Physical Chemistry. B. 114: 12116-28. PMID 20795696 DOI: 10.1021/Jp103322C |
0.529 |
|
| 2009 |
Alexandrova AN, Jorgensen WL. Origin of the activity drop with the E50D variant of catalytic antibody 34E4 for Kemp elimination. The Journal of Physical Chemistry. B. 113: 497-504. PMID 19132861 DOI: 10.1021/Jp8076084 |
0.48 |
|
| 2008 |
Alexandrova AN, Röthlisberger D, Baker D, Jorgensen WL. Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination. Journal of the American Chemical Society. 130: 15907-15. PMID 18975945 DOI: 10.1021/Ja804040S |
0.48 |
|
| 2007 |
Jorgensen WL, Jensen KP, Alexandrova AN. Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion. Journal of Chemical Theory and Computation. 3: 1987-1992. PMID 21132092 DOI: 10.1021/Ct7001754 |
0.483 |
|
| 2007 |
Alexandrova AN, Jorgensen WL. Why urea eliminates ammonia rather than hydrolyzes in aqueous solution. The Journal of Physical Chemistry. B. 111: 720-30. PMID 17249815 DOI: 10.1021/Jp066478S |
0.497 |
|
| 2006 |
Zubarev DY, Alexandrova AN, Boldyrev AI, Cui LF, Li X, Wang LS. On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination. The Journal of Chemical Physics. 124: 124305. PMID 16599672 DOI: 10.1063/1.2177254 |
0.701 |
|
| 2006 |
Alexandrova AN, Koyle E, Boldyrev AI. Theoretical study of hydrogenation of the doubly aromatic B7- cluster. Journal of Molecular Modeling. 12: 569-76. PMID 16261298 DOI: 10.1007/S00894-005-0035-5 |
0.527 |
|
| 2006 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry Coordination Chemistry Reviews. 250: 2811-2866. DOI: 10.1016/J.Ccr.2006.03.032 |
0.53 |
|
| 2005 |
Alexandrova AN, Boldyrev AI. Search for the Lin(0/+1/-1) (n = 5-7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical Bonding in the Lithium Clusters. Journal of Chemical Theory and Computation. 1: 566-80. PMID 26641677 DOI: 10.1021/Ct050093G |
0.542 |
|
| 2005 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Cu3C4-: a new sandwich molecule with two revolving C2(2-) units. The Journal of Physical Chemistry. A. 109: 562-70. PMID 16833380 DOI: 10.1021/Jp047384Q |
0.504 |
|
| 2005 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B(6) (2-) dianion in the LiB(6) (-) cluster. The Journal of Chemical Physics. 122: 54313. PMID 15740328 DOI: 10.1063/1.1839575 |
0.563 |
|
| 2004 |
Alexandrova AN, Boldyrev AI, Fu YJ, Yang X, Wang XB, Wang LS. Structure of the Na(x)Cl(x+1) (-) (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy. The Journal of Chemical Physics. 121: 5709-19. PMID 15366994 DOI: 10.1063/1.1783276 |
0.485 |
|
| 2004 |
Alexandrova AN, Boldyrev AI. Arachno, nido, and closo aromatic isomers of the Li6B6H6 molecule. Inorganic Chemistry. 43: 3588-92. PMID 15180411 DOI: 10.1021/Ic049835R |
0.501 |
|
| 2004 |
Alexandrova AN, Zhai HJ, Wang LS, Boldyrev AI. Molecular wheel B8(2-) as a new inorganic ligand. photoelectron spectroscopy and ab initio characterization of LiB8(-). Inorganic Chemistry. 43: 3552-4. PMID 15180405 DOI: 10.1021/Ic049706A |
0.534 |
|
| 2004 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS. Electronic Structure, Isomerism, and Chemical Bonding in B 7 - and B 7 Journal of Physical Chemistry A. 108: 3509-3517. DOI: 10.1021/Jp037341U |
0.521 |
|
| 2003 |
Zhai HJ, Alexandrova AN, Birch KA, Boldyrev AI, Wang LS. Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: observation and confirmation. Angewandte Chemie (International Ed. in English). 42: 6004-8. PMID 14679555 DOI: 10.1002/Anie.200351874 |
0.532 |
|
| 2003 |
Alexandrova AN, Birch KA, Boldyrev AI. Flattening the b(6)h(6)(2-) octahedron Ab initio prediction of a new family of planar all-boron aromatic molecules. Journal of the American Chemical Society. 125: 10786-7. PMID 12952448 DOI: 10.1002/CHIN.200349002 |
0.506 |
|
| 2003 |
Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI, Zakrzewski VG. Photoelectron Spectroscopy and ab Initio Study of B3 - and B4 - Anions and Their Neutrals Journal of Physical Chemistry A. 107: 9319-9328. DOI: 10.1021/Jp0357119 |
0.515 |
|
| 2003 |
Alexandrova AN, Boldyrev AI. σ-Aromaticity and σ-antiaromaticity in alkali metal and alkaline earth metal small clusters Journal of Physical Chemistry A. 107: 554-560. DOI: 10.1021/Jp027008A |
0.529 |
|
| 2003 |
Alexandrova AN, Boldyrev AI, Zhai HJ, Wang LS, Steiner E, Fowler PW. Structure and bonding in B6 - and B6: Planarity and antiaromaticity Journal of Physical Chemistry A. 107: 1359-1369. DOI: 10.1021/Jp0268866 |
0.52 |
|
| 2003 |
Elliott B, Alexandrova AN, Boldyrev AI. Hydrogen trioxide anion: A possible atmospheric intermediate and path to oxygen-rich molecules Journal of Physical Chemistry A. 107: 1203-1206. DOI: 10.1021/Jp026126V |
0.433 |
|
| 2002 |
Zhai HJ, Wang LS, Alexandrova AN, Boldyrev AI. Electronic structure and chemical bonding of B5 - and B5 by photoelectron spectroscopy and ab initio calculations Journal of Chemical Physics. 117: 7917-7924. DOI: 10.1063/1.1511184 |
0.544 |
|
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