Anastassia N. Alexandrova

Research.com Recognitions

• 2013 - Fellow of Alfred P. Sloan Foundation

Overview

Best Publications

• All-Boron Aromatic Clusters as Potential New Inorganic Ligands and Building Blocks in Chemistry

  Anastassia N. Alexandrova;Alexander I. Boldyrev;Hua-Jin Zhai;Hua-Jin Zhai;Lai-Sheng Wang;Lai-Sheng Wang

  744
  Citations

• Hepta‐ and Octacoordinate Boron in Molecular Wheels of Eight‐ and Nine‐Atom Boron Clusters: Observation and Confirmation

  Hua-Jin Zhai;Anastassia N. Alexandrova;K. Alexander Birch;Alexander I. Boldyrev

  593
  Citations

• Structure of the Na x Cl x+1 - (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy

  Anastassia N. Alexandrova;Alexander I. Boldyrev;You-Jun Fu;Xin Yang

  389
  Citations

• The role of alkali metal cations and platinum-surface hydroxyl in the alkaline hydrogen evolution reaction

  Unknown

  358
  Citations

• 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.

  Anastassia N Alexandrova;Alexander I Boldyrev

  313
  Citations

• Electronic structure and chemical bonding of B5− and B5 by photoelectron spectroscopy and ab initio calculations

  Hua-Jin Zhai;Lai-Sheng Wang;Anastassia N. Alexandrova;Alexander I. Boldyrev

  281
  Citations

• Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

  Zisheng Zhang;Borna Zandkarimi;Anastassia N. Alexandrova;Anastassia N. Alexandrova

  256
  Citations

• Structure and Bonding in B6 - and B6: Planarity and Antiaromaticity

  Anastassia N. Alexandrova;Alexander I. Boldyrev;Hua-Jin Zhai;Lai-Sheng Wang

  252
  Citations

• Photoelectron Spectroscopy and ab Initio Study of B3- and B4- Anions and Their Neutrals

  Hua-Jin Zhai;Lai-Sheng Wang;Anastassia N. Alexandrova;Alexander I. Boldyrev

  248
  Citations

• Electronic Structure, Isomerism, and Chemical Bonding in B7 - and B7

  Anastassia N. Alexandrova;Alexander I. Boldyrev;Hua-Jin Zhai;Lai-Sheng Wang

  245
  Citations

• σ-Aromaticity and σ-Antiaromaticity in Alkali Metal and Alkaline Earth Metal Small Clusters

  Anastassia N. Alexandrova;Alexander I. Boldyrev

  243
  Citations

• Fluxionality of Catalytic Clusters: When It Matters and How to Address It

  Huanchen Zhai;Anastassia N. Alexandrova;Anastassia N. Alexandrova

  215
  Citations

• Molecular Wheel B82- as a New Inorganic Ligand. Photoelectron Spectroscopy and ab Initio Characterization of LiB8-

  Anastassia N. Alexandrova;Hua-Jin Zhai;Lai-Sheng Wang;Alexander I. Boldyrev

  183
  Citations

• Mysteries of metals in metalloenzymes.

  Crystal E. Valdez;Quentin A. Smith;Michael R. Nechay;Anastassia N. Alexandrova

  182
  Citations

• Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization.

  Huanchen Zhai;Anastassia N. Alexandrova;Anastassia N. Alexandrova

  169
  Citations

• Electrochemical Carbon Dioxide Capture and Concentration.

  Unknown

  167
  Citations

• Ethylene Dehydrogenation on Pt4,7,8 Clusters on Al2O3: Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies

  Eric T. Baxter;Mai Anh Ha;Ashley C. Cass;Anastassia N. Alexandrova;Anastassia N. Alexandrova

  150
  Citations

• Why Urea Eliminates Ammonia Rather Than Hydrolyzes in Aqueous Solution

  Anastassia N. Alexandrova;William L. Jorgensen

  145
  Citations

• Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B(6) (2-) dianion in the LiB(6) (-) cluster.

  Anastassia N. Alexandrova;Alexander I. Boldyrev;Hua-Jin Zhai;Lai-Sheng Wang

  144
  Citations

• Dodecaborane‐Based Dopants Designed to Shield Anion Electrostatics Lead to Increased Carrier Mobility in a Doped Conjugated Polymer

  Taylor J. Aubry;Jonathan C. Axtell;Victoria M. Basile;K. J. Winchell

  135
  Citations

• Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al2O3.

  Mai Anh Ha;Eric T. Baxter;Ashley C. Cass;Scott L. Anderson

  121
  Citations

• Artificial Photosynthesis on TiO2-Passivated InP Nanopillars

  Jing Qiu;Guangtong Zeng;Mai-Anh Ha;Mingyuan Ge

  110
  Citations

• Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination

  Anastassia N. Alexandrova;Daniela Röthlisberger;David Baker;William L. Jorgensen

  107
  Citations