Anastassia N Alexandrova (Anastassia Alexandrova, A N Alexandrova)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 99

Top Topics

Polycyclic Aromatic Hydrocarbons

Molecular Dynamics

Transition Metal

Top Venues

The journal of physical chemistry letters

Journal of the American Chemical Society

The journal of physical chemistry. A

Chemical science

This page only lists publications with an associated author ORCID identifier.

Publications

Robert H Lavroff, Julen Munarriz, Claire E Dickerson, Francisco Munoz, Anastassia N Alexandrova
Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors. Proceedings of the National Academy of Sciences of the United States of America 121 (14) (2024)
Zisheng Zhang, Winston Gee, Philippe Sautet, Anastassia N Alexandrova
H and CO Co-Induced Roughening of Cu Surface in CO 2 Electroreduction Conditions. Journal of the American Chemical Society (2024)
Dongfang Cheng, Anastassia N Alexandrova, Philippe Sautet
H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte. The journal of physical chemistry letters (2024)
Guo-Zhu Zhu, Guanming Lao, Claire E Dickerson, Justin R Caram, Wesley C Campbell, Anastassia N Alexandrova, Eric R Hudson
Extending the Large Molecule Limit: The Role of Fermi Resonance in Developing a Quantum Functional Group. The journal of physical chemistry letters 15 (2) (2024)
Harry W T Morgan, W T Laderer, Anastassia N Alexandrova
δ-Bonding and Spin-Orbit Coupling Make SrAg 4 Sb 2 a Topological Insulator. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (17) (2024)
Jounghwan Choi, Shawn Chiu, Avishek Banerjee, Robert L Sacci, Gabriel M Veith, Sabine Chantal E Stieber, Christopher Hahn, Anastassia N Alexandrova, Carlos G Morales-Guio
Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces. The journal of physical chemistry letters (2024)
Guo-Zhu Zhu, Guanming Lao, Claire E Dickerson, Justin R Caram, Wesley C Campbell, Anastassia N Alexandrova, Eric R Hudson
Extending the Large Molecule Limit: The Role of Fermi Resonance in Developing a Quantum Functional Group. The journal of physical chemistry letters (2024)
Taras Khvorost, Paweł Wójcik, Cecilia Chang, Mia Calvillo, Claire E Dickerson, Guanming Lao, Eric R Hudson, Anna I Krylov, Anastassia N Alexandrova
Dual Optical Cycling Centers Mounted on an Organic Scaffold: New Insights from Quantum Chemistry Calculations and Symmetry Analysis. The journal of physical chemistry letters (2024)
Jounghwan Choi, Shawn Chiu, Avishek Banerjee, Robert L Sacci, Gabriel M Veith, Sabine Chantal E Stieber, Christopher Hahn, Anastassia N Alexandrova, Carlos G Morales-Guio
Corrosion and Enhanced Hydrogen Evolution in Electrochemical Reduction of Ammonium Carbamate on Transition Metal Surfaces. The journal of physical chemistry letters 15 (31) (2024)
Dongfang Cheng, Anastassia N Alexandrova, Philippe Sautet
H-Induced Restructuring on Cu(111) Triggers CO Electroreduction in an Acidic Electrolyte. The journal of physical chemistry letters 15 (4) (2024)
Robert H Lavroff, Julen Munarriz, Claire E Dickerson, Francisco Munoz, Anastassia N Alexandrova
Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors. Proceedings of the National Academy of Sciences of the United States of America 121 (14) (2024)
Guorong Weng, William Laderer, Anastassia N Alexandrova
Understanding the Adiabatic Evolution of Surface States in Tetradymite Topological Insulators under Electrochemical Conditions. The journal of physical chemistry letters (2024)
Ashley J Shin, Changling Zhao, Yi Shen, Claire E Dickerson, Barry Yangtao Li, Hootan Roshandel, Daniel Bím, Timothy L Atallah, Paul H Oyala, Yongjia He, Lianne K Alson, Tyler A Kerr, Anastassia N Alexandrova, Paula L Diaconescu, Wesley C Campbell, Justin R Caram
Toward liquid cell quantum sensing: Ytterbium complexes with ultranarrow absorption. Science (New York, N.Y.) 385 (6709) (2024)
Robert H Lavroff, Julen Munarriz, Claire E Dickerson, Francisco Munoz, Anastassia N Alexandrova
Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors. Proceedings of the National Academy of Sciences of the United States of America 121 (14) (2024)
Barry Yangtao Li, Claire E Dickerson, Ashley J Shin, Changling Zhao, Yi Shen, Yongjia He, Paula L Diaconescu, Anastassia N Alexandrova, Justin R Caram
Elucidating ultranarrow 2 F 7/2 to 2 F 5/2 absorption in ytterbium(iii) complexes. Chemical science 15 (31) (2024)
Aamir Hassan Shah, Zisheng Zhang, Chengzhang Wan, Sibo Wang, Ao Zhang, Laiyuan Wang, Anastassia N Alexandrova, Yu Huang, Xiangfeng Duan
Platinum Surface Water Orientation Dictates Hydrogen Evolution Reaction Kinetics in Alkaline Media. Journal of the American Chemical Society 146 (14) (2024)
Derek J Urwin, Elise Tran, Anastassia N Alexandrova
Relative genotoxicity of polycyclic aromatic hydrocarbons inferred from free energy perturbation approaches. Proceedings of the National Academy of Sciences of the United States of America 121 (37) (2024)
Zisheng Zhang, Winston Gee, Philippe Sautet, Anastassia N Alexandrova
H and CO Co-Induced Roughening of Cu Surface in CO 2 Electroreduction Conditions. Journal of the American Chemical Society 146 (23) (2024)
Barry Yangtao Li, Claire E Dickerson, Ashley J Shin, Changling Zhao, Yi Shen, Yongjia He, Paula L Diaconescu, Anastassia N Alexandrova, Justin R Caram
Elucidating ultranarrow 2 F 7/2 to 2 F 5/2 absorption in ytterbium(iii) complexes. Chemical science 15 (31) (2024)
Taras Khvorost, Paweł Wójcik, Cecilia Chang, Mia Calvillo, Claire E Dickerson, Guanming Lao, Eric R Hudson, Anna I Krylov, Anastassia N Alexandrova
Dual Optical Cycling Centers Mounted on an Organic Scaffold: New Insights from Quantum Chemistry Calculations and Symmetry Analysis. The journal of physical chemistry letters 15 (21) (2024)
Shobhit S Chaturvedi, Santiago Vargas, Pujan Ajmera, Anastassia N Alexandrova
Directed Evolution of Protoglobin Optimizes the Enzyme Electric Field. Journal of the American Chemical Society (2024)
Aamir Hassan Shah, Zisheng Zhang, Chengzhang Wan, Sibo Wang, Ao Zhang, Laiyuan Wang, Anastassia N Alexandrova, Yu Huang, Xiangfeng Duan
Platinum Surface Water Orientation Dictates Hydrogen Evolution Reaction Kinetics in Alkaline Media. Journal of the American Chemical Society (2024)
Guorong Weng, William Laderer, Anastassia N Alexandrova
Understanding the Adiabatic Evolution of Surface States in Tetradymite Topological Insulators under Electrochemical Conditions. The journal of physical chemistry letters 15 (10) (2024)
Simran Kumari, Tsugunosuke Masubuchi, Henry S White, Anastassia N Alexandrova, Scott L Anderson, Philippe Sautet
Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Pt n Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt Hydride Species. Journal of the American Chemical Society 145 (10) (2023)
Simran Kumari, Tsugunosuke Masubuchi, Henry S White, Anastassia N Alexandrova, Scott L Anderson, Philippe Sautet
Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Pt n Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt Hydride Species. Journal of the American Chemical Society (2023)
Simran Kumari, Anastassia N Alexandrova, Philippe Sautet
Nature of Zirconia on a Copper Inverse Catalyst Under CO 2 Hydrogenation Conditions. Journal of the American Chemical Society (2023)
Alessandra M Zito, Lauren E Clarke, Jeffrey M Barlow, Daniel Bím, Zisheng Zhang, Katelyn M Ripley, Clarabella Li, Amanda Kummeth, McLain E Leonard, Anastassia N Alexandrova, Fikile Richard Brushett, Jenny Y Yang
Electrochemical Carbon Dioxide Capture and Concentration. Chemical reviews (2023)
Hien M Nguyen, Harry W T Morgan, Teera Chantarojsiri, Tyler A Kerr, Jenny Y Yang, Anastassia N Alexandrova, Nadia G Léonard
Charge and Solvent Effects on the Redox Behavior of Vanadyl Salen-Crown Complexes. The journal of physical chemistry. A (2023)
Melissa C Cendejas, Oscar A Paredes Mellone, Unni Kurumbail, Zisheng Zhang, Jacob H Jansen, Faysal Ibrahim, Son Dong, John Vinson, Anastassia N Alexandrova, Dimosthenis Sokaras, Simon R Bare, Ive Hermans
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 (2023)
Chengzhang Wan, Zisheng Zhang, Juncai Dong, Mingjie Xu, Heting Pu, Daniel Baumann, Zhaoyang Lin, Sibo Wang, Jin Huang, Aamir Hassan Shah, Xiaoqing Pan, Tiandou Hu, Anastassia N Alexandrova, Yu Huang, Xiangfeng Duan
Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction. Nature materials (2023)
Jack T Fuller, Steven Barnes, Lorenzo A Sadun, Pujan Ajmera, Anastassia N Alexandrova, Alfredo A Sadun
Coenzyme Q10 trapping in mitochondrial complex I underlies Leber's hereditary optic neuropathy. Proceedings of the National Academy of Sciences of the United States of America 120 (39) (2023)
Harry W T Morgan, W T Laderer, Anastassia N Alexandrova
δ-bonding and spin-orbit coupling make SrAg 4 Sb 2 a topological insulator. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Zisheng Zhang, Ive Hermans, Anastassia N Alexandrova
Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane. Journal of the American Chemical Society (2023)
Shobhit S Chaturvedi, Daniel Bím, Christo Z Christov, Anastassia N Alexandrova
From random to rational: improving enzyme design through electric fields, second coordination sphere interactions, and conformational dynamics. Chemical science 14 (40) (2023)
Harry W T Morgan, Anastassia N Alexandrova
Structures of LaH 10 , EuH 9 , and UH 8 superhydrides rationalized by electron counting and Jahn-Teller distortions in a covalent cluster model. Chemical science 14 (24) (2023)
Daniel Bím, Michal Navrátil, Ondrej Gutten, Jan Konvalinka, Zsófia Kutil, Martin Culka, Václav Navrátil, Anastassia N Alexandrova, Cyril Barinka, Lubomír Rulíšek
Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II. The journal of physical chemistry. B 126 (1) (2022)
Wujing Xian, Matthew R Hennefarth, Michelle W Lee, Tran H Do, Ernest Y Lee, Anastassia N Alexandrova, Gerard C L Wong
Histidine-Mediated Ion Specific Effects Enable Salt Tolerance of a Pore-Forming Marine Antimicrobial Peptide. Angewandte Chemie (International ed. in English) 61 (25) (2022)
Jeffrey M Barlow, Lauren E Clarke, Zisheng Zhang, Daniel Bím, Katelyn M Ripley, Alessandra M Zito, Fikile Richard Brushett, Anastassia N Alexandrova, Jenny Y Yang
Molecular design of redox carriers for electrochemical CO 2 capture and concentration. Chemical Society reviews 51 (20) (2022)
Patricia Poths, Zixiang Hong, Guangjing Li, Scott L Anderson, Anastassia N Alexandrova
"Magic" Sinter-Resistant Cluster Sizes of Pt n Supported on Alumina. The journal of physical chemistry letters 13 (47) (2022)
Claire E Dickerson, Cecilia Chang, Han Guo, Anastassia N Alexandrova
Fully Saturated Hydrocarbons as Hosts of Optical Cycling Centers. The journal of physical chemistry. A 126 (51) (2022)
Robert H Lavroff, Doran L Pennington, Ash Sueh Hua, Barry Yangtao Li, Jillian A Williams, Anastassia N Alexandrova
Recent Innovations in Solid-State and Molecular Qubits for Quantum Information Applications. The journal of physical chemistry. B 125 (44) (2022)
Guo-Zhu Zhu, Debayan Mitra, Benjamin L Augenbraun, Claire E Dickerson, Michael J Frim, Guanming Lao, Zack D Lasner, Anastassia N Alexandrova, Wesley C Campbell, Justin R Caram, John M Doyle, Eric R Hudson
Functionalizing aromatic compounds with optical cycling centres. Nature chemistry 14 (9) (2022)
Debayan Mitra, Zack D Lasner, Guo-Zhu Zhu, Claire E Dickerson, Benjamin L Augenbraun, Austin D Bailey, Anastassia N Alexandrova, Wesley C Campbell, Justin R Caram, Eric R Hudson, John M Doyle
Pathway toward Optical Cycling and Laser Cooling of Functionalized Arenes. The journal of physical chemistry letters 13 (30) (2022)
Robert H Lavroff, Harry W T Morgan, Zisheng Zhang, Patricia Poths, Anastassia N Alexandrova
Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between. Chemical science 13 (27) (2022)
Harry W T Morgan, Anastassia N Alexandrova
Electron Counting and High-Pressure Phase Transformations in Metal Hexaborides. Inorganic chemistry 61 (46) (2022)
Mark E Eberhart, Timothy R Wilson, Nathaniel W Johnston, Anastassia N Alexandrova
Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond. Journal of chemical theory and computation (2022)
Guanming Lao, Guo-Zhu Zhu, Claire E Dickerson, Benjamin L Augenbraun, Anastassia N Alexandrova, Justin R Caram, Eric R Hudson, Wesley C Campbell
Laser Spectroscopy of Aromatic Molecules with Optical Cycling Centers: Strontium(I) Phenoxides. The journal of physical chemistry letters 13 (47) (2022)
Zisheng Zhang, Ziyang Wei, Philippe Sautet, Anastassia N Alexandrova
Hydrogen-Induced Restructuring of a Cu(100) Electrode in Electroreduction Conditions. Journal of the American Chemical Society 144 (42) (2022)
Claire E Dickerson, Cecilia Chang, Han Guo, Anastassia N Alexandrova
Fully Saturated Hydrocarbons as Hosts of Optical Cycling Centers. The journal of physical chemistry. A (2022)
Mark E Eberhart, Timothy R Wilson, Nathaniel W Johnston, Anastassia N Alexandrova
Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond. Journal of chemical theory and computation 19 (3) (2022)
Zisheng Zhang, Amanda L Kummeth, Jenny Y Yang, Anastassia N Alexandrova
Inverse molecular design of alkoxides and phenoxides for aqueous direct air capture of CO 2 . Proceedings of the National Academy of Sciences of the United States of America 119 (25) (2022)
Timothy R Wilson, Amanda Morgenstern, Anastassia N Alexandrova, Mark E Eberhart
Bond Bundle Analysis of Ketosteroid Isomerase. The journal of physical chemistry. B 126 (46) (2022)
Mark E Eberhart, Timothy R Wilson, Nathaniel W Johnston, Anastassia N Alexandrova
Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond. Journal of chemical theory and computation 19 (3) (2022)
Isra S Hassan, Jack T Fuller, Vanessa N Dippon, Angeline N Ta, Michael W Danneman, Brian R McNaughton, Anastassia N Alexandrova, Tomislav Rovis
Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis. Chemical science 13 (32) (2022)
Patricia Poths, Anastassia N Alexandrova
Theoretical Perspective on Operando Spectroscopy of Fluxional Nanocatalysts. The journal of physical chemistry letters 13 (19) (2022)
Robert H Lavroff, Doran L Pennington, Ash Sueh Hua, Barry Yangtao Li, Jillian A Williams, Anastassia N Alexandrova
Recent Innovations in Solid-State and Molecular Qubits for Quantum Information Applications. The journal of physical chemistry. A 125 (44) (2021)
Timothy R Wilson, Anastassia N Alexandrova, Mark E Eberhart
Electron Density Geometry and the Quantum Theory of Atoms in Molecules. The journal of physical chemistry. A 125 (50) (2021)
Derek J Urwin, Anastassia N Alexandrova
Regularization of least squares problems in CHARMM parameter optimization by truncated singular value decompositions. The Journal of chemical physics 154 (18) (2021)
Anastassia N Alexandrova, Gregory V Hartland
Suggesting Reviewers to Improve Your Manuscript. The journal of physical chemistry. B 125 (27) (2021)
Anastassia N Alexandrova, Gregory V Hartland
The Art of Reviewing Manuscripts. The journal of physical chemistry. A 125 (30) (2021)
Radhika Mehta, Dann D Rivera, David J Reilley, Dominique Tan, Pei W Thomas, Abigail Hinojosa, Alesha C Stewart, Zishuo Cheng, Caitlyn A Thomas, Michael W Crowder, Anastassia N Alexandrova, Walter Fast, Emily L Que
Visualizing the Dynamic Metalation State of New Delhi Metallo-β-lactamase-1 in Bacteria Using a Reversible Fluorescent Probe. Journal of the American Chemical Society 143 (22) (2021)
Anastassia N Alexandrova, Gregory V Hartland
Suggesting Reviewers to Improve Your Manuscript. The journal of physical chemistry. A 125 (27) (2021)
Anastassia N Alexandrova, Gregory V Hartland
The Art of Reviewing Manuscripts. The journal of physical chemistry. B 125 (30) (2021)
David J Reilley, Jian Wang, Nikolay V Dokholyan, Anastassia N Alexandrova
Titr-DMD-A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework. Journal of chemical theory and computation 17 (7) (2021)
Joseph Vincent Ortiz, Anastassia N Alexandrova, Jack Simons
Tribute to Alexander I. Boldyrev. The journal of physical chemistry. A 125 (42) (2021)
Robert H Lavroff, Doran L Pennington, Ash Sueh Hua, Barry Yangtao Li, Jillian A Williams, Anastassia N Alexandrova
Recent Innovations in Solid-State and Molecular Qubits for Quantum Information Applications. The journal of physical chemistry letters 12 (44) (2021)
Claire E Dickerson, Han Guo, Guo-Zhu Zhu, Eric R Hudson, Justin R Caram, Wesley C Campbell, Anastassia N Alexandrova
Optical Cycling Functionalization of Arenes. The journal of physical chemistry letters 12 (16) (2021)
Anastassia N Alexandrova, Gregory V Hartland
Revising Manuscripts: Trying to Make Everyone Happy. The journal of physical chemistry. B 125 (33) (2021)
Borna Zandkarimi, Patricia Poths, Anastassia N Alexandrova
When Fluxionality Beats Size Selection: Acceleration of Ostwald Ripening of Sub-Nano Clusters. Angewandte Chemie (International ed. in English) 60 (21) (2021)
Anastassia N Alexandrova, Gregory V Hartland
Revising Manuscripts: Trying to Make Everyone Happy. The journal of physical chemistry. A 125 (33) (2021)
Daniel Bím, Anastassia N Alexandrova
Electrostatic regulation of blue copper sites. Chemical science 12 (34) (2021)
Jiao Deng, Sheng-Chih Lin, Jack T Fuller, Borna Zandkarimi, Hsiao-Chien Chen, Anastassia N Alexandrova, Chong Liu
Electrocatalytic Methane Functionalization with d0 Early Transition Metals Under Ambient Conditions. Angewandte Chemie (International ed. in English) 60 (51) (2021)
Santiago Vargas, Matthew R Hennefarth, Zhihao Liu, Anastassia N Alexandrova
Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density. Journal of chemical theory and computation 17 (10) (2021)
Santiago Vargas, Matthew R Hennefarth, Zhihao Liu, Anastassia N Alexandrova
Correction to Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density. Journal of chemical theory and computation 18 (1) (2021)
Matthew R Hennefarth, Anastassia N Alexandrova
Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity. The journal of physical chemistry. A 125 (5) (2021)
Yolanda L Li, Chih-Te Zee, Janice B Lin, Victoria M Basile, Mit Muni, Maria D Flores, Julen Munarriz, Richard B Kaner, Anastassia N Alexandrova, Kendall N Houk, Sarah H Tolbert, Yves Rubin
Fjord-Edge Graphene Nanoribbons with Site-Specific Nitrogen Substitution. Journal of the American Chemical Society 142 (42) (2020)
Paul J Robinson, Julen Munarriz, Michael E Valentine, Austin Granmoe, Natalia Drichko, Juan R Chamorro, Priscila F Rosa, Tyrel M McQueen, Anastassia N Alexandrova
Dynamical Bonding Driving Mixed Valency in a Metal Boride. Angewandte Chemie (International ed. in English) 59 (27) (2020)
Juan M Venegas, Zisheng Zhang, Theodore O Agbi, William P McDermott, Anastassia N Alexandrova, Ive Hermans
Why Boron Nitride is such a Selective Catalyst for the Oxidative Dehydrogenation of Propane. Angewandte Chemie (International ed. in English) 59 (38) (2020)
Jiao Deng, Sheng-Chih Lin, Jack T Fuller, Jesus A Iñiguez, Danlei Xiang, Di Yang, Gary Chan, Hsiao-Chien Chen, Anastassia N Alexandrova, Chong Liu
Ambient methane functionalization initiated by electrochemical oxidation of a vanadium (V)-oxo dimer. Nature communications 11 (1) (2020)
Gaoxiang Liu, Patricia Poths, Xinxing Zhang, Zhaoguo Zhu, Mary Marshall, Moritz Blankenhorn, Anastassia N Alexandrova, Kit H Bowen
CO2 Hydrogenation to Formate and Formic Acid by Bimetallic Palladium-Copper Hydride Clusters. Journal of the American Chemical Society 142 (17) (2020)
Zisheng Zhang, Borna Zandkarimi, Anastassia N Alexandrova
Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces. Accounts of chemical research 53 (2) (2020)
Julen Munarriz, Paul J Robinson, Anastassia N Alexandrova
Towards a Single Chemical Model for Understanding Lanthanide Hexaborides. Angewandte Chemie (International ed. in English) 59 (50) (2020)
Han Guo, Philippe Sautet, Anastassia N Alexandrova
Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling. The journal of physical chemistry letters 11 (8) (2020)
Guangjing Li, Borna Zandkarimi, Ashley C Cass, Timothy J Gorey, Bradley J Allen, Anastassia N Alexandrova, Scott L Anderson
Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability. The Journal of chemical physics 152 (2) (2020)
Jonathan C Axtell, Marco S Messina, Ji-Yuan Liu, Daria Galaktionova, Josef Schwan, Tyler M Porter, Miles D Savage, Alex I Wixtrom, Arnold L Rheingold, Clifford P Kubiak, Jay R Winkler, Harry B Gray, Petr Král, Anastassia N Alexandrova, Alexander M Spokoyny
Photooxidative Generation of Dodecaborate-Based Weakly Coordinating Anions. Inorganic chemistry 58 (16) (2019)
Bingya Hou, Lang Shen, Haotian Shi, Jihan Chen, Bofan Zhao, Kun Li, Yi Wang, Guozhen Shen, Mai-Anh Ha, Fanxi Liu, Anastassia N Alexandrova, Wei Hsuan Hung, Jahan M Dawlaty, Phillip Christopher, Stephen B Cronin
Resonant and Selective Excitation of Photocatalytically Active Defect Sites in TiO2. ACS applied materials & interfaces 11 (10) (2019)
Jack Fuller, Tim R Wilson, Mark E Eberhart, Anastassia N Alexandrova
Charge Density in Enzyme Active Site as a Descriptor of Electrostatic Preorganization. Journal of chemical information and modeling 59 (5) (2019)
Kevin Kang, Jack Fuller, Alexander H Reath, Joseph W Ziller, Anastassia N Alexandrova, Jenny Y Yang
Installation of internal electric fields by non-redox active cations in transition metal complexes. Chemical science 10 (43) (2019)
Borna Zandkarimi, Anastassia N Alexandrova
Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis. The journal of physical chemistry letters 10 (3) (2019)
Geng Sun, Anastassia N Alexandrova, Philippe Sautet
Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization. The Journal of chemical physics 151 (19) (2019)
David J Reilley, Konstantin I Popov, Nikolay V Dokholyan, Anastassia N Alexandrova
Uncovered Dynamic Coupling Resolves the Ambiguous Mechanism of Phenylalanine Hydroxylase Oxygen Binding. The journal of physical chemistry. B 123 (21) (2019)
Zisheng Zhang, Elisa Jimenez-Izal, Ive Hermans, Anastassia N Alexandrova
Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride under Conditions of Oxidative Dehydrogenation of Propane. The journal of physical chemistry letters 10 (1) (2018)
John C Thomas, Dominic P Goronzy, Andrew C Serino, Harsharn S Auluck, Olivia R Irving, Elisa Jimenez-Izal, Jacqueline M Deirmenjian, Jan Macháček, Philippe Sautet, Anastassia N Alexandrova, Tomas Base, Paul S Weiss
Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can. ACS nano 12 (3) (2018)
Huanchen Zhai, Anastassia N Alexandrova
Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3. The journal of physical chemistry letters 9 (7) (2018)
Huanchen Zhai, Anastassia N Alexandrova
Correction to "Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3". The journal of physical chemistry letters 9 (20) (2018)
Amanda Morgenstern, Matthew Jaszai, Mark E Eberhart, Anastassia N Alexandrova
Quantified electrostatic preorganization in enzymes using the geometry of the electron charge density. Chemical science 8 (7) (2017)
Paul J Robinson, Xinxing Zhang, Tyrel McQueen, Kit H Bowen, Anastassia N Alexandrova
SmB6- Cluster Anion: Covalency Involving f Orbitals. The journal of physical chemistry. A 121 (8) (2017)
Zhi-Hao Cui, Elisa Jimenez-Izal, Anastassia N Alexandrova
Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity. The journal of physical chemistry letters 8 (6) (2017)
Mai-Anh Ha, Eric T Baxter, Ashley C Cass, Scott L Anderson, Anastassia N Alexandrova
Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al2O3. Journal of the American Chemical Society 139 (33) (2017)