Anastassia Alexandrova
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Russian-American chemist
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Computational Chemistry
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Chemistry
Anastassia Alexandrova's Degrees
- PhD Chemistry University of Southern California
- Bachelors Chemistry Moscow State University
Why Is Anastassia Alexandrova Influential?
(Suggest an Edit or Addition)According to Wikipedia, Anastassia N. Alexandrova is an American chemist who is a professor at the University of California, Los Angeles. Her research considers the computational design of functional materials. Early life and education Alexandrova was the Winner of the Russian Regional Student Olympiad in Chemistry in 2000. She attended the Saratov State University for her undergraduate studies, where she was awarded a scholarship from the Government of Russia for outstanding performance in science. She moved to the United States for her graduate studies at Utah State University, where she studied aromatic clusters using Ab initio genetic algorithms. In particular, she developed the Gradient Embedded genetic Algorithm to identify the minima of atomic clusters. After earning her doctorate, Alexandrova moved to Yale University, where she joined the laboratory of William L. Jorgensen. She also worked in the laboratory of John C. Tully where she studied the photochemistry of DNA fragments.
Anastassia Alexandrova's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- All-Boron Aromatic Clusters as Potential New Inorganic Ligands and Building Blocks in Chemistry (2006) (499)
- Hepta- and octacoordinate boron in molecular wheels of eight- and nine-atom boron clusters: observation and confirmation. (2003) (382)
- Structure of the Na(x)Cl(x+1) (-) (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy. (2004) (229)
- 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. (2005) (180)
- Electronic structure and chemical bonding of B5− and B5 by photoelectron spectroscopy and ab initio calculations (2002) (173)
- Electronic Structure, Isomerism, and Chemical Bonding in B7 - and B7 (2004) (167)
- σ-Aromaticity and σ-Antiaromaticity in Alkali Metal and Alkaline Earth Metal Small Clusters (2003) (158)
- Structure and Bonding in B6 - and B6: Planarity and Antiaromaticity (2003) (156)
- Photoelectron Spectroscopy and ab Initio Study of B3- and B4- Anions and Their Neutrals (2003) (153)
- Molecular wheel B8(2-) as a new inorganic ligand. photoelectron spectroscopy and ab initio characterization of LiB8(-). (2004) (127)
- Fluxionality of Catalytic Clusters: When It Matters and How to Address It (2017) (114)
- Mysteries of metals in metalloenzymes. (2014) (98)
- Ethylene Dehydrogenation on Pt4,7,8 Clusters on Al2O3: Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies (2017) (97)
- Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces. (2020) (89)
- Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B(6) (2-) dianion in the LiB(6) (-) cluster. (2005) (88)
- Why urea eliminates ammonia rather than hydrolyzes in aqueous solution. (2007) (85)
- Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization. (2016) (82)
- Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al2O3. (2017) (81)
- Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination. (2008) (81)
- Artificial Photosynthesis on TiO2-Passivated InP Nanopillars. (2015) (75)
- Visible-Light-Induced Olefin Activation Using 3D Aromatic Boron-Rich Cluster Photooxidants. (2016) (68)
- Polarization Effects for Hydrogen-Bonded Complexes of Substituted Phenols with Water and Chloride Ion. (2007) (64)
- Molecular basis for nanoscopic membrane curvature generation from quantum mechanical models and synthetic transporter sequences. (2012) (63)
- B13+ : a photodriven molecular Wankel engine. (2012) (63)
- H·(H2O)n clusters: microsolvation of the hydrogen atom via molecular ab initio gradient embedded genetic algorithm (GEGA). (2010) (63)
- Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis. (2019) (62)
- Origin of extraordinary stability of square-planar carbon atoms in surface carbides of cobalt and nickel. (2015) (60)
- Dodecaborane‐Based Dopants Designed to Shield Anion Electrostatics Lead to Increased Carrier Mobility in a Doped Conjugated Polymer (2019) (58)
- Building Structures Atom by Atom via Electron Beam Manipulation. (2018) (57)
- Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3. (2018) (56)
- Flattening the b(6)h(6)(2-) octahedron Ab initio prediction of a new family of planar all-boron aromatic molecules. (2003) (55)
- Why Boron Nitride is such a Selective Catalyst for the Oxidative Dehydrogenation of Propane. (2020) (51)
- Photochemistry of DNA fragments via semiclassical nonadiabatic dynamics. (2010) (46)
- Computational Design of Clusters for Catalysis. (2018) (45)
- CO2 Hydrogenation to Formate and Formic Acid by Bimetallic Palladium-Copper Hydride Clusters. (2020) (45)
- Mechanism of CO2 Photocatalytic Reduction to Methane and Methanol on Defected Anatase TiO2 (101): A Density Functional Theory Study (2019) (42)
- Assembling Di- and Multiatomic Si Clusters in Graphene via Electron Beam Manipulation (2017) (42)
- Theoretical study of hydrogenation of the doubly aromatic B7− cluster (2006) (41)
- Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride under Conditions of Oxidative Dehydrogenation of Propane. (2018) (40)
- Cu,Zn-superoxide dismutase without Zn is folded but catalytically inactive. (2014) (39)
- The Golden Crown: A Single Au Atom that Boosts the CO Oxidation Catalyzed by a Palladium Cluster on Titania Surfaces (2013) (38)
- SmB6- Cluster Anion: Covalency Involving f Orbitals. (2017) (38)
- Oxygen Vacancies of Anatase(101): Extreme Sensitivity to the Density Functional Theory Method. (2016) (38)
- Mystery of Three Borides: Differential Metal–Boron Bonding Governing Superhard Structures (2017) (35)
- Lithium cluster anions: photoelectron spectroscopy and ab initio calculations. (2011) (34)
- Alloying Pt Sub-nano-clusters with Boron: Sintering Preventative and Coke Antagonist? (2015) (34)
- Metal-dependent activity of Fe and Ni acireductone dioxygenases: how two electrons reroute the catalytic pathway. (2013) (32)
- Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity. (2017) (31)
- AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum Search. (2015) (31)
- Rigid substructure search (2011) (29)
- Structure, stability, and mobility of small Pd clusters on the stoichiometric and defective TiO2 (110) surfaces. (2011) (29)
- Why urease is a di-nickel enzyme whereas the CcrA β-lactamase is a di-zinc enzyme. (2012) (29)
- Persistent Covalency and Planarity in the BnAl6–n2– and LiBnAl6–n– (n = 0–6) Cluster Ions (2011) (29)
- Hybrid dynamics simulation engine for metalloproteins. (2012) (28)
- Quantified electrostatic preorganization in enzymes using the geometry of the electron charge density. (2017) (28)
- (Photo)Electrocatalytic CO2 Reduction at the Defective Anatase TiO2 (101) Surface (2020) (28)
- Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation (2020) (27)
- On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination. (2006) (27)
- 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-/-). (2012) (26)
- Microscopic Study of Atomic Layer Deposition of TiO2 on GaAs and Its Photocatalytic Application (2015) (26)
- Correction to “Nanoalloying MgO–Deposited Pt Clusters with Si To Control the Selectivity of Alkane Dehydrogenation” (2018) (25)
- Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation (2019) (25)
- How Metal Substitution Affects the Enzymatic Activity of Catechol-O-Methyltransferase (2012) (25)
- Coking-Resistant Sub-Nano Dehydrogenation Catalysts: PtnSnx/SiO2 (n = 4, 7) (2020) (25)
- Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. (2013) (25)
- Surface‐supported cluster catalysis: Ensembles of metastable states run the show (2019) (24)
- Correction to Rutile-Deposited Pt–Pd Clusters: A Hypothesis Regarding the Stability at 50/50 Ratio (2014) (24)
- Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization. (2019) (24)
- Arachno, nido, and closo aromatic isomers of the Li6B6H6 molecule. (2004) (23)
- Origin of the activity drop with the E50D variant of catalytic antibody 34E4 for Kemp elimination. (2009) (23)
- On the mechanism and rate of spontaneous decomposition of amino acids. (2011) (22)
- Double σ-Aromaticity in a Surface-Deposited Cluster: Pd4 on TiO2 (110). (2011) (22)
- Local Electric Fields as a Natural Switch of Heme-Iron Protein Reactivity. (2021) (21)
- The Role of the Flexible L43-S54 Protein Loop in the CcrA Metallo-β-lactamase in Binding Structurally Dissimilar β-Lactam Antibiotics. (2013) (21)
- Global Activity Search Uncovers Reaction Induced Concomitant Catalyst Restructuring for Alkane Dissociation on Model Pt Catalysts (2021) (20)
- Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics (2020) (20)
- Ambient methane functionalization initiated by electrochemical oxidation of a vanadium (V)-oxo dimer (2020) (20)
- Direct Look at the Electric Field in Ketosteroid Isomerase and Its Variants (2020) (20)
- Sn-modification of Pt7/alumina model catalysts: Suppression of carbon deposition and enhanced thermal stability. (2020) (20)
- Housing and Public Services in a Medium-Sized Russian City: Case Study of Tomsk (2004) (20)
- Photoelectron spectroscopic and theoretical study of the [HPd(η(2)-H2)](-) cluster anion. (2015) (19)
- Computational treatment of metalloproteins. (2015) (19)
- Reform of in-kind benefits in Russia (2007) (19)
- Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can. (2018) (18)
- Charge Density in Enzyme Active Site as a Descriptor of Electrostatic Preorganization (2019) (18)
- Histone Deacetylase 8: Characterization of Physiological Divalent Metal Catalysis. (2016) (18)
- Installation of internal electric fields by non-redox active cations in transition metal complexes (2019) (18)
- Preparation of Size- and Composition-Controlled PtnSnx/SiO2 (n = 4, 7, 24) Bimetallic Model Catalysts with Atomic Layer Deposition (2019) (17)
- Interpreting the Operando XANES of Surface-Supported Subnanometer Clusters: When Fluxionality, Oxidation State, and Size Effect Fight (2020) (17)
- Cu3C4-: a new sandwich molecule with two revolving C2(2-) units. (2005) (16)
- Reagent Triggers Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling. (2020) (16)
- Diborane Interactions with Pt7/alumina: Preparation of Size-Controlled Borated Pt Model Catalysts (2018) (14)
- Geometry Change in a Series of Zirconium Compounds during Lactide Ring-Opening Polymerization (2018) (14)
- Recognition of platinum-DNA adducts by HMGB1a. (2012) (14)
- Hepta‐ and Octacoordinate Boron in Molecular Wheels of Eight‐ and Nine‐Atom Boron Clusters: Observation and Confirmation. (2004) (14)
- Optical Cycling Functionalization of Arenes. (2021) (13)
- Tug of war between AO-hybridization and aromaticity in dictating structures of Li-doped alkali clusters (2012) (13)
- Alloying with Sn Suppresses Sintering of Size-Selected Subnano Pt Clusters on SiO2 with and without Adsorbates (2020) (13)
- Visualizing the Dynamic Metalation State of New Delhi Metallo-β-lactamase-1 in Bacteria Using a Reversible Fluorescent Probe. (2021) (13)
- Structure-Guided Development of Deoxycytidine Kinase Inhibitors with Nanomolar Affinity and Improved Metabolic Stability (2014) (12)
- Conservative tryptophan mutants of the protein tyrosine phosphatase YopH exhibit impaired WPD-loop function and crystallize with divanadate esters in their active sites. (2015) (12)
- Vibrational predissociation spectra of the On−, n = 3–10, 12 clusters: Even–odd alternation in the core ion (2009) (12)
- Advances in optimizing enzyme electrostatic preorganization. (2021) (11)
- Metavanadate at the active site of the phosphatase VHZ. (2012) (11)
- The role of alkali metal cations and platinum-surface hydroxyl in the alkaline hydrogen evolution reaction (2022) (11)
- Predictive methods for computational metalloenzyme redesign - a test case with carboxypeptidase A. (2016) (11)
- Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites (2020) (11)
- Pt–Zn Clusters on Stoichiometric MgO(100) and TiO2(110): Dramatically Different Sintering Behavior (2015) (11)
- Fjord-edge Graphene Nanoribbons with Site-Specific Nitrogen Substitution. (2020) (11)
- Franck-Condon Tuning of Optical Cycling Centers by Organic Functionalization. (2020) (11)
- Assessing the Bonding Properties of Individual Molecular Orbitals. (2015) (11)
- Understanding How Bonding Controls Strength Anisotropy in Hard Materials by Comparing the High-Pressure Behavior of Orthorhombic and Tetragonal Tungsten Monoboride (2018) (10)
- Electronic structure and chemical bonding of B 5 ¿ and B 5 by photoelectron spectroscopy and ab initio calculations (2002) (10)
- Pure and Zn-doped Pt clusters go flat and upright on MgO(100). (2014) (10)
- Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO (2018) (10)
- The PtAl(-) and PtAl2(-) anions: theoretical and photoelectron spectroscopic characterization. (2014) (10)
- Metallic and Magnetic 2D Materials Containing Planar Tetracoordinated C and N. (2016) (10)
- When Fluxionality Beats Size Selection: Acceleration of Ostwald Ripening of Sub-Nano Clusters. (2021) (9)
- Molecular Wheel B2-8 as a New Inorganic Ligand. Photoelectron Spectroscopy and ab initio Characterization of LiB-8. (2004) (9)
- Co2+ acireductone dioxygenase: Fe2+ mechanism, Ni2+ mechanism, or something else? (2014) (9)
- Promiscuous DNA alkyladenine glycosylase dramatically favors a bound lesion over undamaged adenine. (2010) (9)
- Co2+ acireductone dioxygenase: Fe2+ mechanism, Ni2+ mechanism, or something else? (2014) (9)
- Global Optimization of Adsorbate Covered Supported Cluster Catalysts: The Case of Pt7H10CH3 on α‐Al2O3 (2020) (8)
- Functionalizing aromatic compounds with optical cycling centres (2022) (8)
- Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin. (2020) (8)
- Can Fluxionality of Subnanometer Cluster Catalysts Solely Cause Non-Arrhenius Behavior in Catalysis? (2020) (7)
- B+13: A Photodriven Molecular Wankel Engine. (2012) (7)
- Divide-and-Conquer Chemical Bonding Models for Materials: A Tool for Materials Design at the Electronic Level (2017) (7)
- What Can Be Learned from Introducing Settlement Typology into Urban Poverty Analysis: The Case of the Tomsk Region, Russia (2006) (7)
- Photoinduced Carrier Generation and Distribution in Solution-Deposited Titanyl Phthalocyanine Monolayers (2019) (7)
- Flattening the B6H2‐6 Octahedron. Ab initio Prediction of a New Family of Planar All‐Boron Aromatic Molecules. (2003) (7)
- Title Ethylene Dehydrogenation on Pt-4 , Pt-7 , Pt-8 Clusters on Al 2 O 3 : Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies (2017) (7)
- The mechanism of the Pd-catalyzed formation of coumarins: a theoretical study. (2015) (6)
- Uncovered Dynamic Coupling Resolves the Ambiguous Mechanism of Phenylalanine Hydroxylase Oxygen Binding. (2019) (6)
- Photooxidative Generation of Dodecaborate-Based Weakly Coordinating Anions. (2019) (6)
- Heterogeneity in Local Chemical Bonding Explains Spectral Broadening in Quantum Dots with Cu Impurities (2019) (6)
- Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density. (2021) (6)
- Stoichiometry-controllable optical defects in CuxIn2−xSy quantum dots for energy harvesting (2020) (6)
- Oxidation Dynamics of Supported Catalytic Cu Clusters: Coupling to Fluxionality (2021) (5)
- The same in the bulk but different as clusters: X3Y3 (X = B, Al, Ga; Y = P, As) (2013) (5)
- Mechanism of CO 2 Photocatalytic Reduction to Methane and Methanol on Defected Anatase TiO 2 (101): A Density Functional Theory Study (2020) (5)
- Inverse molecular design of alkoxides and phenoxides for aqueous direct air capture of CO2 (2021) (5)
- Pathway toward Optical Cycling and Laser Cooling of Functionalized Arenes. (2022) (5)
- Persistent Covalency and Planarity in the B n Al 6 n 2 and LiB n Al 6 n ( n = 0 6 ) Cluster Ions (2011) (5)
- Titr-DMD-A Rapid, Coarse-Grained Quasi-All-Atom Constant pH Molecular Dynamics Framework. (2021) (5)
- Heterogeneous Intramolecular Electric Field as a Descriptor of Diels-Alder Reactivity. (2020) (5)
- Strain to alter the covalency and superconductivity in transition metal diborides (2019) (5)
- The Case for Enzymatic Competitive Metal Affinity Methods. (2020) (5)
- Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers (2020) (5)
- Photoelectron spectroscopic and computational study of the PtMgH3,5(-) cluster anions. (2016) (4)
- Promoting the Cleavage of C–O Bonds at the Interface between a Metal Oxide Cluster and a Co(0001) Support (2020) (4)
- Computational design and characterisation of artificial enzymes for Kemp elimination (2011) (4)
- Designing clusters for heterogeneous catalysis (2019) (4)
- Fluxionality of Subnano Clusters Reshapes the Activity Volcano of Electrocatalysis (2022) (4)
- Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II. (2022) (4)
- Dynamical Bonding Driving Mixed Valency in a Metal Boride. (2019) (4)
- IR, Raman and SERS spectra of propantheline bromide. (2013) (4)
- Histidine-Mediated Ion Specific Effects Enable Salt Tolerance of a Pore-Forming Marine Antimicrobial Peptide. (2022) (4)
- Electrostatic regulation of blue copper sites (2021) (4)
- Understanding the Hardness of Doped WB4.2 (2021) (4)
- Electrocatalytic Hydrogen Evolution at Full Atomic Utilization over ITO-Supported Sub-nano-Ptn Clusters: High, Size-Dependent Activity Controlled by Fluxional Pt Hydride Species. (2023) (3)
- Building Structures Atom by Atom via Electron Beam Manipulation. (2019) (3)
- σ-Aromaticity in polyhydride complexes of Ru, Ir, Os, and Pt. (2016) (3)
- Correction to "Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3". (2018) (3)
- Graphite-Supported Ptn Cluster Electrocatalysts: Major Change of Active Sites as a Function of the Applied Potential (2022) (3)
- PtZnH 5 − , A σ ‑ Aromatic Cluster (2014) (3)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules. (2021) (3)
- Interpreting the Operando X-ray Absorption Near-Edge Structure of Supported Cu and CuPd Clusters in Conditions of Oxidative Dehydrogenation of Propane: Dynamic Changes in Composition and Size (2022) (2)
- Recent Innovations in Solid-State and Molecular Qubits for Quantum Information Applications. (2021) (2)
- Surface chemical trapping of optical cycling centers. (2020) (2)
- The 3rd Transatlantic Frontiers in Chemistry Symposium. (2013) (2)
- Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry C (2020) (2)
- Photo-driven Molecular Wankel Engine B$_{13}^+$ (2012) (2)
- Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond. (2022) (2)
- Bond Bundle Analysis of Ketosteroid Isomerase. (2022) (2)
- Recent Innovations in Solid-State and Molecular Qubits for Quantum Information Applications. (2021) (1)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (1)
- Laser Spectroscopy of Aromatic Molecules with Optical Cycling Centers: Strontium(I) Phenoxides (2022) (1)
- Regularization of least squares problems in CHARMM parameter optimization by truncated singular value decompositions. (2021) (1)
- Structural bioinformatics Rigid substructure search (2011) (1)
- Revising Manuscripts: Trying to Make Everyone Happy. (2021) (1)
- Theoretical Perspective on Operando Spectroscopy of Fluxional Nanocatalysts. (2022) (1)
- Correction: Pure and Zn-doped Pt clusters go flat and upright on MgO(100). (2015) (1)
- Use of QM/DMD as a Multiscale Approach to Modeling Metalloenzymes. (2016) (1)
- Computational and Experimental Design of Quinones for Electrochemical CO2 Capture and Concentration (2022) (1)
- Ensemble representation of catalytic interfaces: soloists, orchestras, and everything in-between (2022) (1)
- 4th International Conference on Chemical Bonding. (2016) (1)
- Towards a Single Chemical Model for Understanding Lanthanide Hexaborides (2020) (1)
- Frontispiece: Origin of Extraordinary Stability of Square‐Planar Carbon Atoms in Surface Carbides of Cobalt and Nickel (2015) (1)
- Got Coke? Self-Limiting Poisoning Makes an Ultra Stable and Selective Sub-nano Cluster Catalyst (2022) (1)
- Correction to Artificial Photosynthesis on TiO2-Passivated InP Nanopillars. (2016) (1)
- Resonant and Selective Excitation of Photocatalytically Active Defect Sites in TiO2. (2019) (1)
- Suggesting Reviewers to Improve Your Manuscript. (2021) (1)
- Molecular design of redox carriers for electrochemical CO2 capture and concentration. (2022) (1)
- Front Cover: Oxidative Dehydrogenation of Cyclohexane by Cu vs Pd Clusters: Selectivity Control by Specific Cluster Dynamics (ChemCatChem 5/2020) (2020) (1)
- Sub-Nano Clusters: The Last Frontier of Inorganic Chemistry (2014) (1)
- Fully Saturated Hydrocarbons as Hosts of Optical Cycling Centers. (2022) (1)
- Tribute to Alexander I. Boldyrev. (2021) (0)
- Structures of Li-Doped Alkali Clusters are Dictated by AO-Hybridization (2012) (0)
- Prediction of phonon-mediated high-T C superconductivity in monolayer Mg 2 B 4 C 2 (2021) (0)
- Structure and Bonding in B6- and B6: Planarity and Antiaromaticity. (2003) (0)
- Histone Deacetylase 8 : Characterization of Physiological Divalent (2016) (0)
- Electrocatalytic Methane Functionalization with d0 Early Transition Metals Under Ambient Conditions. (2021) (0)
- Photochemistry of DNA Fragments Via Semiclassical Nonadiabatic Dynamics (2010) (0)
- Title Metallic and Magnetic 2 D Materials Containing Planar (2016) (0)
- Title Fluxionality of Catalytic Clusters : When It Matters and How to Address It Permalink (2017) (0)
- Electron Counting and High-Pressure Phase Transformations in Metal Hexaborides. (2022) (0)
- FUNCTIONALIZED AROMATIC MOLECULES FOR LASER COOLING AND TRAPPING (2022) (0)
- Works Title Erratum : Rutile-deposited Pt-Pd clusters : A hypothesis regarding the stability (2014) (0)
- Contrasting Effects of Inhibitors Li+ and Be2+ on Catalytic Cycle of Glycogen Synthase Kinase-3β. (2021) (0)
- Erratum: "The PtAl(-) and PtAl2 (-) anions: Theoretical and photoelectron spectroscopic characterization" [J. Chem. Phys. 140, 164316 (2014)]. (2015) (0)
- New Multi-Scale Methods for Realistic Modeling of Catalytic Interfaces Based on Sub-nano Surface-deposited Clusters (2013) (0)
- Cu 3 C 4-: A New Sandwich Molecule with Two Revolving C 22-Units (0)
- Works Title Microscopic Study of Atomic Layer Deposition of TiO 2 on GaAs and Its Photocatalytic Application Permalink (2015) (0)
- Designing a "scorecard to monitor and map social development of municipalities in Tomsk oblast (Russia). (2005) (0)
- Moving Mountains: Reshaping the Activity Volcano of Electrocatalysis with Fluxional Subnano Clusters (2021) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
- Suggesting Reviewers to Improve Your Manuscript. (2021) (0)
- Correction to Oxygen Vacancies of Anatase 101: Extreme Sensitivity to the Density Functional Theory Method. (2016) (0)
- An Artificial Intelligence Framework for Optimal Drug Design (2022) (0)
- Quantum Mechanical Insights into Biological Processes at the Electronic Level (2012) (0)
- Photoinduced Carrier Distribution in Titanyl Phthalocyanine Monolayers (2020) (0)
- Azerbaijan - Social Protection Development : P105116 - Implementation Status Results Report : Sequence 06 (2010) (0)
- Towards a Single Chemical Model for Understanding Lanthanide Hexaborides. (2020) (0)
- Correction to Machine Learning to Predict Diels-Alder Reaction Barriers from the Reactant State Electron Density. (2021) (0)
- Ambient methane functionalization initiated by electrochemical oxidation of a (V)-oxo dimer. (2020) (0)
- The Royal Society of ternal electric fi elds by non-redox active cations in transition metal complexes † (2019) (0)
- Title Conservative Tryptophan Mutants of the Protein Tyrosine Phosphatase YopH Exhibit Impaired WPD-Loop Function and Crystallize with Divanadate Esters in Their Active Sites Permalink (2015) (0)
- Recent Innovations in Solid-State and Molecular Qubits for Quantum Information Applications. (2021) (0)
- Histidine‐Mediated Ion Specific Effects Enable Salt Tolerance of a Pore‐Forming Marine Antimicrobial Peptide (2022) (0)
- The Art of Reviewing Manuscripts. (2021) (0)
- Restructuring and Activation of Cu (111) under Electrocatalytic Reduction Conditions. (2023) (0)
- Mechanism of Stoichiometrically Governed Titanium Oxide Brownian Tree Formation on Stepped Au(111) (2023) (0)
- High-temperature phonon-mediated superconductivity in monolayer Mg2B4C2 (2022) (0)
- Tuning through-space interactions via the secondary coordination sphere of an artificial metalloenzyme leads to enhanced Rh(iii)-catalysis (2022) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
- HIGHLANDS IN CHEMISTRY SEMINAR SERIES UNIVERSITY OF CALIFORNIA LOS ANGELES (2021) (0)
- Title Predictive methods for computational metalloenzyme redesign-a test case with carboxypeptidase A Permalink (2016) (0)
- Atom-by-Atom Assembly in Aberration Corrected STEM and the Role of Chemistry at the Surface of Graphene (2018) (0)
- Electrocatalytic Methane Functionalization with d0 Early Transition Metals Under Ambient Conditions (2021) (0)
- Works Title Correction to Artificial Photosynthesis on TiO 2-Passivated InP Nanopillars (2015) (0)
- Title Cu , Zn-Superoxide Dismutase without Zn Is Folded but Catalytically Inactive Permalink (2014) (0)
- "Magic" Sinter-Resistant Cluster Sizes of Ptn Supported on Alumina. (2022) (0)
- Hydrogen-Induced Restructuring of a Cu(100) Electrode in Electroreduction Conditions. (2022) (0)
- Looking for a Feasible Disaggregation in Urban Poverty Analysis : A Case Study of Tomsk Region , Russia (2004) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
- Pt : Ge Ratio as a Lever of Activity and Selectivity Control of Supported PtGe Clusters in Thermal Dehydrogenation ** (2023) (0)
- Mechanism of Pd-catalyzed Formation of Coumarin. A Theoretical Study. (2014) (0)
- Electronic Structure, Isomerism, and Chemical Bonding in B7- and B7 (2004) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
- Size, Structure, Support, and Alloying Effects on Cluster Chemistry (2018) (0)
- The Art of Reviewing Manuscripts. (2021) (0)
- Hydrogen Evolution on Electrode-Supported Ptn Clusters: Ensemble of Hydride States Governs the Size Dependent Reactivity. (2023) (0)
- Revising Manuscripts: Trying to Make Everyone Happy. (2021) (0)
- Title Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity Permalink (2017) (0)
- Exploring the Stability of Square Planar Carbon in Surface Carbides of Co, Ni, and Beyond (2015) (0)
- Title Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography (2013) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
- Surface-Supported Cluster Catalysts: Fluxionality, Statistical Nature, and Design (2018) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
- Promoter–Poison Partnership Protects Platinum Performance in Coked Cluster Catalysts (2023) (0)
- Electron Density Geometry and the Quantum Theory of Atoms in Molecules (2021) (0)
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