Alfred B. C. Anderson
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Alfred B. C. Andersonchemistry Degrees
Chemistry
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Physical Chemistry
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Chemistry
Alfred B. C. Anderson's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry Stanford University
Why Is Alfred B. C. Anderson Influential?
(Suggest an Edit or Addition)Alfred B. C. Anderson's Published Works
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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
- O2 reduction on graphite and nitrogen-doped graphite: experiment and theory. (2006) (553)
- Charge Transfer Equilibria Between Diamond and an Aqueous Oxygen Electrochemical Redox Couple (2007) (504)
- Thermodynamics of soil moisture (1943) (423)
- Hydrogen and Oxygen Evolution on Boron‐Doped Diamond Electrodes (1996) (328)
- Derivation of the extended Hückel method with corrections: One electron molecular orbital theory for energy level and structure determinations (1975) (302)
- Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory (2008) (215)
- Nitrogen-Treated Graphite and Oxygen Electroreduction on Pyridinic Edge Sites (2009) (194)
- Density functional theory study of O2 electroreduction when bonded to a Pt dual site (2002) (176)
- Applications of Diamond Thin Films in Electrochemistry (1998) (171)
- Catalytic effect of platinum on oxygen reduction : An ab initio model including electrode potential dependence (2000) (165)
- Activation energies for oxygen reduction on platinum alloys: theory and experiment. (2005) (160)
- Co9S8 as a catalyst for electroreduction of O2: quantum chemistry predictions. (2006) (158)
- PROPAGATION OF ZERO SOUND IN LIQUID ³He AT LOW TEMPERATURES (1966) (157)
- Description of diatomic molecules using one electron configuration energies with two‐body interactions (1974) (147)
- Molecular orbital studies of dissociative chemisorption of first period diatomic molecules and ethylene on (100) W and Ni surfaces (1974) (118)
- Systematic Theoretical Study of Alloys of Platinum for Enhanced Methanol Fuel Cell Performance (1996) (110)
- Toward a better understanding of the atom superposition and electron delocalization molecular orbital theory and a systematic test: diatomic oxides of the first transition-metal series, bonding and trends (1987) (109)
- Structures, binding energies, and charge distributions for two to six atom Ti, Cr, Fe, and Ni clusters and their relationship to nucleation and cluster catalysis (1976) (108)
- Aqueous and Surface Redox Potentials from Self-Consistently Determined Gibbs Energies (2008) (105)
- O2 reduction and CO oxidation at the Pt-electrolyte interface. The role of H2O and OH adsorption bond strengths (2002) (103)
- The influence of electrochemical potential on chemistry at electrode surfaces modeled by MO theory (1990) (95)
- Factors determining carbon monoxide adsorption sites on palladium and platinum (100) and (111) surfaces: theoretical study (1985) (90)
- Electronic and redox properties of stacked-ring silicon phthalocyanines from molecular orbital theory (1985) (86)
- Molecular orbital study of CO chemisorption on a Pt(111) surface in the presence of potassium (1983) (86)
- Mechanism for the electrooxidation of water to OH and O bonded to platinum: quantum chemical theory (2002) (86)
- Activation of methane on iron, nickel, and platinum surfaces: a molecular orbital study (1988) (84)
- Hydrogen on molybdenum disulfide: theory of its heterolytic and homolytic chemisorption (1988) (83)
- Dopant Effect of Yttrium and the Growth and Adherence of Alumina on Nickel‐Aluminum Alloys (1985) (82)
- Insights into electrocatalysis. (2012) (79)
- Predictions of cation distributions in AB2O4 spinels from normalized ion energies (1989) (76)
- Experimental and Theoretical Study of Cobalt Selenide as a Catalyst for O2 Electroreduction (2007) (76)
- Vibrational Force Constants from Electron Densities (1970) (76)
- Reactions and structures of water on clean and oxygen covered Pt(111) and Fe(100) (1981) (76)
- Potential-induced variations in properties for carbon monoxide adsorbed on a platinum electrode (1989) (75)
- Structure and electronic factors in benzene coordination to Cr(CO)3 and to cluster models of Ni, Pt, and Ag (111) surfaces (1984) (74)
- Adsorption of H, CH3, CH2 and C2H2 on 2 × 1 restructured diamond (100) (1991) (71)
- Molecular orbital study of CO chemisorption and oxidation on a Pt(111) surface (1982) (71)
- Interaction of hydrogen, carbon, ethylene, acetylene, and alkyl fragments with iron surfaces. Catalytic hydrogenation, dehydrogenation, carbon bond breakage, and hydrogen mobility (1977) (69)
- Template Synthesis and Characterization of Layered Al− and Mg−Silsesquioxanes (1997) (68)
- Structures and electronic properties of copper clusters and bulk; comments on Mulliken-Walsh diagrams and on criticisms of the extended Hückel procedure (1978) (67)
- Adsorption and structural rearrangements of acetylene and ethylene on Pt(111); Theoretical study (1985) (67)
- Binding and orientations of CO on Fe(110), (100), and (111): A surface structure effect from molecular orbital theory (1988) (66)
- The Reversible Hydrogen Electrode: Potential-Dependent Activation Energies over Platinum from Quantum Theory (2004) (65)
- Methyl radical formation over lithium-doped magnesium oxide. Molecular orbital theory (1988) (65)
- Quantum Chemical Approach to Redox Reactions Including Potential Dependence: Application to a Model for Hydrogen Evolution from Diamond (1998) (64)
- Metal clusters in catalysis. 14. The chemistry of dinuclear metal-acetylene complexes (1978) (64)
- Theory for C—N− and Ag—C vibrational frequency dependence on potential: cyanide on a silver electrode (1981) (63)
- Derivation of and comments on Bonaccorsi‐Scrocco‐Tomasi potentials for electrophilic additions (1974) (61)
- Vibrational potentials and structures in molecular and solid carbon, silicon, germanium, and tin (1975) (60)
- Hydrogen on zinc oxide: theory of its heterolytic adsorption (1986) (60)
- Theoretical interpretation of the cyclohexane .fwdarw. benzene reaction on the platinum(III) surface (1985) (58)
- Potential Shift for OH(ads) Formation on the Pt Skin on Pt3Co ( 111 ) Electrodes in Acid Theory and Experiment (2005) (57)
- Oxygen reduction on platinum electrodes in base: Theoretical study (2007) (57)
- Relaxation in ZnO (1010), (0001), and (0001) surfaces and the adsorption of CO (1986) (56)
- Ab initio approach to calculating activation energies as functions of electrode potential: Trial application to four-electron reduction of oxygen (1999) (56)
- Variations in carbon-oxygen and platinum-carbon frequencies for carbon monoxide on a platinum electrode (1982) (55)
- Theoretical Predictions Concerning Oxygen Reduction on Nitrided Graphite Edges and a Cobalt Center Bonded to Them (2007) (55)
- Effective Reversible Potential, Energy Loss, and Overpotential on Platinum Fuel Cell Cathodes (2011) (54)
- The migration of interstitial H in diamond and its pairing with substitutional B and N. Molecular orbital theory (1994) (53)
- Electron density distribution functions and the ASED–MO theory (1994) (52)
- Methane photoactivation on copper molybdate. An experimental and theoretical study (1987) (51)
- Electrochemical pinning of the Fermi level: mediation of photoluminescence from gallium nitride and zinc oxide. (2008) (51)
- Theory for the Potential Shift for OH ads Formation on the Pt Skin on Pt3Cr ( 111 ) in Acid (2004) (50)
- Hydrogen binding and diffusion in diamond (1992) (48)
- Theoretical Approach to Potential Energy Functions for Linear AB2 and ABC and Bent AB2 Triatomic Molecules (1972) (48)
- How Potentials of Zero Charge and Potentials for Water Oxidation to OH(ads) on Pt(111) Electrodes Vary With Coverage (2009) (46)
- Electron donor-acceptor properties of porphyrins, phthalocyanines, and related ring chelates: a molecular orbital approach (1988) (46)
- Mechanism for the Electro-oxidation of Carbon Monoxide on Platinum, Including Electrode Potential Dependence Theoretical Determination (2002) (44)
- CO adsorption on (111) and (100) surfaces of the Pt3Ti alloy: Evidence for parallel binding and strong activation of CO (1986) (41)
- Co-doping of Diamond with Boron and Sulfur (2002) (41)
- Advancements in the local reaction center electron transfer theory and the transition state structure in the first step of oxygen reduction over platinum (2005) (41)
- Comparison of bonding in first transition-metal series: diatomic and bulk sulfides and oxides (1987) (41)
- Catalytic Effect of Ruthenium in Ruthenium-Platinum Alloys on the Electrooxidation of Methanol. Molecular Orbital Theory (1995) (40)
- Sulfur at nickel-alumina interfaces : molecular orbital theory (1990) (40)
- Theory at the electrochemical interface: reversible potentials and potential-dependent activation energies ☆ (2003) (40)
- Role of oxide surface radicals for methane carbon-hydrogen bond activation and subsequent reactions on molybdena: molecular orbital theory (1987) (40)
- Adsorption and bonding of C 1 H x and C 2 H y on unreconstructed diamond(111). Dependence on coverage and coadsorbed hydrogen (1990) (39)
- Theoretical study of structures and binding properties of nickel tetracarbonyl, iron pentacarbonyl, and diiron and dicobalt hexacarbonyl acetylenes (1976) (39)
- Mechanism for propylene oxidation to acrolein on Bi2Mo3O12: A quantum chemical study (1985) (38)
- Optical Spectra of Ferrous and Ferric Oxides and the Passive Film: A Molecular Orbital Study (1982) (38)
- Theory of ultraviolet spectra for Ni2 and Ni3 and hypothesis for argon matrix frequency shifts for Ni atoms (1977) (37)
- Hydrogenation of the {10.hivin.10} graphite edge: structural considerations from band calculations (1992) (37)
- Acetylene adsorption to Fe(100), (110), and (111) surfaces; structures and reactions (1984) (37)
- Theoretical determination of the structure of acetylene on Pt(111) (1980) (36)
- Defect clusters in wustite, Fe1-xO (1984) (36)
- Studies of model dependence in an ab initio approach to uncatalyzed oxygen reduction and the calculation of transfer coefficients (2001) (36)
- Molecular orbital theory for catalysis. Structures, energy levels, and reactions of acetylene with Ni2(COD)2(RC.tplbond.CR), Ni2(C5H5)2(RC.tplbond.CR), and the nickel(111) surface (1978) (35)
- THE FOUR‐ELECTRODE RESISTANCE METHOD FOR MEASURING SOIL‐MOISTURE CONTENT UNDER FIELD CONDITIONS (1941) (35)
- Photodimerization of cyclohexene and methane by decatungstate anions: molecular orbital theory (1990) (34)
- Hydrogen Oxidation and Evolution on Platinum Electrodes in Base: Theoretical Study (2007) (34)
- Water Dissociation on Pt(111) and (100) Anodes: Molecular Orbital Theory (1996) (33)
- Electrode Potential-Dependent Stages in OH ads Formation on the Pt3Cr Alloy (111) Surface (2004) (33)
- Theoretical Calculation of Activation Energies for Pt + H+(aq) + e-(U) ↔ Pt−H: Activation Energy-Based Symmetry Factors in the Marcus Normal and Inverted Regions (2003) (33)
- Cobalt concentration effect in Pt1−xCox on the reversible potential for forming OHads from H2Oads in acid solution (2005) (33)
- Universal force constant relationships and a definition of atomic radius (1971) (32)
- Electronic properties of Bi2O3 and MoO3 and relationships to oxidation catalysis (1983) (32)
- Structural and orbital analysis of ethylene and acetylene on Ni(111) surfaces (1976) (31)
- Diamond growth in the presence of boron and sulfur (2003) (31)
- Mechanisms for Ethanol Electrooxidation on Pt(111) and Adsorption Bond Strengths Defining an Ideal Catalyst (2015) (30)
- Relationships between Vibrational Force Constants and Quadrupole Coupling Constants for Molecules and Solids (1969) (30)
- Ethylene hydrogenation mechanism on the platinum(111) surface: theoretical determination (1989) (30)
- POTENTIAL DEPENDENCE OF CO(ADS) OXIDATION BY OH(ADS) ON PLATINUM ANODES. MOLECULAR ORBITAL THEORY (1995) (30)
- Field adsorption of rare gases (1986) (29)
- Acetylene adsorption on Si(111): molecular orbital theory (1988) (29)
- The formation of cosmic grains. An experimental and theoretical study. (1981) (29)
- Mechanism of Iron dissolution and passivation in an aqueous environment: Active and transition ranges (1983) (28)
- Propylene adsorption and .alpha.-hydrogen abstraction on platinum(III). Mechanism for 1,3-sigmatropic shifts (1984) (28)
- Defect Clusters in Nonstoichiometric 3d Transition-Metal Monoxides (1986) (28)
- CO adsorption on Pt(111) doped with TiO, FeO, ZnO, and Fe, and Pt ad-atoms. Molecular orbital study of CO-dopant interactions (1987) (27)
- The origin of shallow n-type conductivity in boron-doped diamond with H or S co-doping: Density functional theory study (2006) (25)
- Studies of adsorbate-induced conductance of diamond surfaces (2005) (25)
- Interaction of dopant cations with 4: 1 defect clusters in non-stoichiometric 3d transition metal monoxides: A theoretical study (1987) (25)
- On the Lack of Activity of Substitutional Sn Atoms toward the Electro‐oxidation of CO on Pt Anodes Molecular Orbital Theory (1995) (25)
- Solvation and Zero-Point-Energy Effects on OH(ads) Reduction on Pt(111) Electrodes (2010) (25)
- Structures and reactions of hydronium, water, and hydroxyl on an iron electrode. Potential dependence (1982) (24)
- Effective Reversible Potentials and Onset Potentials for O2 Electroreduction on Transition Metal Electrodes: Theoretical Analysis (2013) (24)
- Photoactivation of water by p-benzoquinone and the role of manganese(III) complexes in oxygen evolution: molecular orbital theory (1989) (23)
- Pt3Cr(111) Alloy Effect on the Reversible Potential of OOH(ads) Formation from O2(ads) relative to Pt(111) (2005) (23)
- An ased band theory: Lattice constants, atomization energies, and bulk moduli for C(gr), C(di), Si, α-SiC, and β-SiC (1988) (23)
- Structure and bonding of acetylene and ethylene on .alpha.-iron surfaces at low temperatures (1978) (22)
- Water adsorption on an iron oxide surface (1983) (22)
- Diatomic Vibrational Potential Functions from Integration of a Poisson Equation (1971) (21)
- CO oxidation mechanisms over ZnO: molecular orbital theory (1989) (21)
- Effects of chemisorbed and substitutional 0, I, and II Ge, Sn, and Pb on CO adsorption on Pt(111) : molecular orbital theory (1990) (21)
- On evaluating force constants from LCAO—MO—SCF electronic charge densities for diatomic molecules (1973) (20)
- Formate adsorption and azimuthal orientation on Cu(100) from molecular orbital theory (1989) (20)
- Alkane reactions with photoactivated decatungstate in neutral and acid solution: molecular orbital theory (1992) (20)
- The polarography of aqueous pertechnetate ion (1967) (20)
- Pathways for O2 Electroreduction over Substitutional FeN4, HOFeN4, and OFeN4 in Graphene Bulk Sites: Critical Evaluation of Overpotential Predictions Using LGER and CHE Models (2019) (20)
- Molecular orbital study of the interaction of carbon monoxide and carbon dioxide with copper (100) (1977) (20)
- Why Is There Such a Small Overpotential for O2 Electroreduction by Copper Laccase (2005) (19)
- Hydrogen Evolution on Diamond Electrodes by the Volmer-Heyrovsky Mechanism Prediction of Reversible Potentials and Activation Energies (2007) (19)
- Mechanism for the electrooxidation of carbon monoxide on platinum by H2O. Density functional theory calculation (2003) (19)
- CH bond activation and radical–surface reactions for propylene and methane over α-Bi2O3 (1987) (19)
- Binding and orientations of O2 on Ag(100) and Pb/Ag(100): Relationships to O2 reduction by UPD lead on a silver electrode (1989) (18)
- Theoretical Study of Early Steps in Corrosion of Pt and Pt/Co Alloy Electrodes (2008) (18)
- Hydrogen oxidation and proton transport at the Ni–zirconia interface in solid oxide fuel cell anodes: Quantum chemical predictions (2006) (18)
- Using Gibbs Energies to Calculate the Pt(111) Hupd Cyclic Voltammogram (2013) (17)
- Four-electron reduction of O2 over multiple CuI centers: Quantum theory (2007) (17)
- Volcano Plots and Effective Reversible Potentials for Oxygen Electroreduction (2012) (17)
- Methane activation over MoS2 and CHn stabilities: Molecular orbital theory (1988) (17)
- Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory (1989) (16)
- On effective molecular electronic charge densities and vibrational potential energy functions (1972) (16)
- Binding of Ru, O, and RuOn (n=1–4) to the Ru(001) surface: Structures, stabilities, and diffusion barriers (1987) (16)
- Calculating reversible potentials for Pt-H and Pt-OH bond formation in basic solutions. (2005) (16)
- Reversible potentials for steps in methanol and formic acid oxidation to CO2; adsorption energies of intermediates on the ideal electrocatalyst for methanol oxidation and CO2 reduction. (2014) (16)
- Dopants in Diamond Nanoparticles and Bulk Diamond Density Functional Study of Substitutional B, N, P, SB, S, PN, O, NN, and Interstitial H (2002) (16)
- Adsorption of O2, SO2, and SO3, on nickel oxide - Mechanism for sulfate formation (1986) (15)
- Methane conversion and Fischer—Tropsch catalysis over MoS2: Predictions and interpretations from molecular orbital theory (1989) (15)
- Oxygen Evolution on a SrFeO3 Anode Mechanistic Considerations from Molecular Orbital Theory (1989) (15)
- The prewave in CO oxidation over roughened and Sn alloyed Pt surfaces: possible structure and electronic causes (1999) (14)
- Atom superposition and electron delocalization (ASED) theory for catalysis. Dissociative properties of acetylene on Fe and Ni(100) with coadsorbed O, S, Se and implications for Te☆ (1981) (14)
- Constrained Variation Calculations of Electron-Transfer Transition States Using the Lagrange Method (2003) (14)
- Acetylene adsorption on Pt(111) and unreconstructed (110) and (100) surfaces (1984) (14)
- Quantum theory of chemisorption (1989) (14)
- Calculating Reversible Potentials for Elementary Reactions in Acid and Base from Model Reaction Energies (2003) (13)
- Dependence of carbon-carbon and carbon-hydrogen bond activation on d band position: acetylene on platinum(111) and iron(100). An electrochemical model (1985) (13)
- Determination of chalcogen structures on nickel surfaces from orbital energies added to pairwise atomic repulsions (1977) (13)
- Molecular-orbital theory of bonding in FeO and chemisorbed oxygen on Fe(100) (1977) (13)
- C-H stretching overtone spectrum of propylene. Molecular-orbital analysis in the local-mode model (1985) (13)
- Thermal generation of CH sub 3 ter dot (g) from CH sub 3 OH adsorbed on oxygen-covered Mo(110). C-O bond strength considerations from molecular orbital theory (1991) (13)
- Mechanism for chelated sulfate formation from SO2 and bis (triphenylphosphine) platinum (1985) (12)
- A METHOD OF DETERMINING SOIL‐MOISTURE CONTENT BASED ON THE VARIATION OF THE ELECTRICAL CAPACITANCE OF SOIL, AT A LOW FREQUENCY, WITH MOISTURE CONTENT (1943) (12)
- HxMoO3 bronzes: structures, stabilities, and electronic properties (1988) (12)
- Concepts and computational methods for the electrochemical interface and applications: Past, present, and future (2017) (12)
- Potential dependence of CO oxidation by H2O on a Pt anode. A molecular orbital theory (1992) (12)
- Molecular Orbital Investigation of Water Reactions with Tin Hydroxide Complexes in Association with Platinum Electrodes (1996) (12)
- Simple Potential Energy Function for CO2 (1972) (12)
- THE ELECTRICAL CAPACITY OF THE 2‐ELECTRODE PLASTER OF PARIS BLOCK AS AN INDICATOR OF SOIL‐MOISTURE CONTENT (1942) (11)
- Carbon-hydrogen stretching overtone spectrum of propylene. Molecular-orbital analysis in the local-mode model (1985) (10)
- A poisson equation for vibrational potentials of diatomic molecules (1972) (10)
- Transition metal catalysis of olefin isomerizations (1975) (10)
- Adsorption and decomposition of acetylene on vanadium (100), (110), and (111) surfaces; the effect of large d orbitals (1986) (10)
- Parameter Dependence in the Local Reaction Center Model for the Electrochemical Interface (2009) (10)
- Selenium: A Nonprecious Metal Cathode Catalyst for Oxygen Reduction (2010) (9)
- Ethylidyne on the rhodium(100) surface: a theoretical investigation (1990) (9)
- Sulfur-Doped n-Type Diamond: Preparation and Electrochemical Properties (2003) (9)
- Methane activation by hole sites on AlN: A molecular orbital study (1989) (9)
- NiO Bulk properties: Initial-state molecular-orbital Ni4O4 and Ni13O14 cluster studies (1980) (9)
- S and Fe binding to the Fe(100) surface and in the bulk: Molecular orbital theory for surface segregation of S (1988) (9)
- P and N compensation in diamond molecular orbital theory (1997) (8)
- Predicting pH dependencies of electrode surface reactions in electrocatalysis (2016) (8)
- LABORATORY STUDY OF THE RESPONSE OF 2− AND 4‐ELECTRODE PLASTER OF PARIS BLOCKS AS SOIL‐MOISTURE CONTENT INDICATORS (1942) (8)
- MECHANISM FOR FORMING HYDROGEN CHLORIDE AND SODIUM SULFATE FROM SULFUR TRIOXIDE, WATER, AND SODIUM CHLORIDE (1984) (7)
- STRUCTURE AND BONDING IN (CYCLOBUTADIENE)IRON TRICARBONYL (1981) (7)
- ADHESION AND BONDING OF POLAR AND NON-POLAR SIC SURFACES TO TI(0001) (1991) (7)
- Photon-assisted carbon-hydrogen bond activation in a coordinated methoxy. A molecular orbital explanation (1985) (7)
- Adsorption of H, CO, CH2, CH3, and C2H4 on MoC Molecular orbital theory (1991) (7)
- Olefin oligomerization on nickel. A theoretical study of the barrier to olefin rotation and insertion (1984) (7)
- Soil‐moisture conditions and phenomena in frozen soils (1942) (7)
- Theories for Predicting Reversible Potentials of Reactions on Electrode Surfaces from Internal and Gibbs Energies: Applications to ORR (2010) (6)
- Comment on the local mode approximation for molecular vibrations (1977) (6)
- Ni(100) with chalcogen overlayers: Theory for structures, force constants, binding energies, photoemission spectra; importance of final‐state multiplet splittings (1978) (6)
- Molecular orbitals and bonding in Ar2, Kr2, ArKr, (Cl2)2, ArHCl, and solid chlorine (1976) (6)
- Mechanism of Electroless Copper Deposition from [CuIIEDTA]2– Complexes Using Aldehyde-Based Reductants (2016) (6)
- Hydrogen Evolution on Diamond Electrodes and Its Dependence on Surface C-H Bond Strengths (2005) (6)
- Theory of Hydrogen Deposition and Evolution on Cu(111) Electrodes (2017) (6)
- Predicting Reaction Mechanisms and Potentials in Acid and Base from Self-Consistent Quantum Theory: H(ads) and OH(ads) Deposition on the Pt(111) Electrode. (2016) (6)
- Chlorine and hydrogen chloride on clean and oxygen‐covered Fe(100): Bonding and reactions (1982) (5)
- Molecular orbital theory of bonding of nitrogen atoms to Cu(100) (1977) (5)
- Binding of ethylene and acetylene to S2- in C5H5MoS4MoC5H5 and on crystalline MoS2 : molecular orbital theory (1990) (5)
- VOLUME‐FREEZING-POINT RELATIONS OBSERVED WITH NEW DILATOMETER TECHNIQUE (1942) (5)
- Hydrogen atom pairs in diamond bulk and at the surface: Hybrid density functional theory and cluster models (2003) (5)
- Mechanism for Oxidative Dissolution of a Cr Atom from a Pt Surface: Molecular Orbital Theory (1998) (4)
- Predicting the Double Layer Width on Pt(111) in Acid and Base with Theory and Extracting It from Experimental Voltammograms (2017) (4)
- Dehydrogenation of methoxy adsorbed on Pt(111) and Cr(110) : the stabilizing effect of the more electropositive surface (1996) (4)
- Trends with coverage and pH in Stark tuning rates for CO on Pt(1 1 1) electrodes (2013) (4)
- STUDIES IN THE SINGLE-CENTER METHOD. (1971) (4)
- Dehydrogenation of adsorbed methoxy on clean and oxidized metals. An electronic effect and its implications (1993) (4)
- CH bond activation in CH sub 4 and t-BuO(ads) by oxygen chemisorbed on Ag(110). Molecular orbital theory (1990) (4)
- Valence-Force-Field Potentials for Diamondlike Crystals (1973) (4)
- Activation of carbon monoxide on nickel-aluminum alloy surfaces and by interstitial trapping in a nickel matrix. Structure and electronic factors from molecular orbital theory (1990) (4)
- Methoxy mobility and methane formation on the alumina support (1991) (4)
- Ground and excited-state iron atom interactions with methane and ethylene. Molecular orbital theory for coordination and carbon-hydrogen activation (1987) (4)
- Why the addition of carbon monoxide leads to acyl decarbonylation in a supported rhodium dimer complex (1992) (3)
- An ASED-MO calculation of a side-on bound dimer model of oxyhaemocyanin (1993) (3)
- Theoretical Interpretation of the Cyclohexane → Benzene Reaction on the Pt(III) Surface. (1986) (3)
- Adsorption and bonding of C1Hx and C2Hy on unreconstructed diamond(111): Dependence on coverage and coadsorbed hydrogen☆ (1990) (3)
- FIELD STUDY OF RESPONSE OF THE ELECTRICAL RESISTANCE OF 2− AND 4‐ELECTRODE PLASTER OF PARIS BLOCKS TO VARIATIONS IN SOIL MOISTURE (1942) (3)
- Lattice constants and force constants for iron, nickel, and copper from orbital energies added to pairwise atomic repulsions in cluster models (1979) (3)
- Calculation of harmonic and cubic Einstein force constants in diamond-like crystals (1977) (3)
- Structures of SO4 and Na2SO4 (1982) (2)
- A Predictive Molecular Orbital Theory Applied to Defects and Structures of Transition Metal Oxides (1985) (2)
- Mechanism for forming sodium pyrosulfate from sodium chloride, sulfur dioxide, and oxygen (1983) (2)
- Reactions of sodium chloride(s) with sulfur dioxide(g) and molecular oxygen(g) to form sodium sulfate(s). A charge-transfer reaction (1983) (2)
- Structure of the iron pentacarbonyl anion (1984) (2)
- SINGLE-CENTER VARIATIONAL CALCULATIONS WITH BASIS FUNCTIONS DEPENDING ON r . (1970) (2)
- Why CO bonds side-on at low coverage and both side-on and upright at high coverage on the Cr(110) surface (1986) (2)
- Boron-Doped Diamond Films for Electrochemical Applications (1998) (2)
- Structure and Electronic Factors in Heterogeneous Catalysis: C≡C, C≡O, and C-H Activation Processes on Metals and Oxides (1990) (1)
- Dependence of CC and CH bond activation on d band position: acetylene on Pt(111) and Fe(100). An electrochemical model (1985) (1)
- Methyl Radical Formation Over Li-Doped MgO. MO Theory (1988) (1)
- MOLECULAR ORBITAL THEORY FOR CATALYSIS. STRUCTURES, ENERGY LEVELS, AND REACTIONS OF ACETYLENE WITH NI2(COD)2(RCCR), NI2(C5H5)2(RCCR), AND THE NICKEL(111) SURFACE (1978) (1)
- Analytical energy surfaces for the collinear H+H2 and Li+H2 exchange reactions☆ (1973) (1)
- Abstract of articleAdsorption of H, CH3, CH2 and C2H2 on 2 × 1 restructured diamond (100) : Theoretical study of structures, bonding and migration (1991) (1)
- Reaction Energy for an Electrode Surface Atom Inserting into an R-H Bond and Its Dependence on Electrode Potential: Application to Pt(111) (2015) (1)
- Pourbaix Diagrams for H2O Oxidation to Adsorbed OH on Pt(111) and Why They Differ from Those for Bulk Solids (2018) (1)
- Perspective on theories for reversible potentials for reactions taking place on electrode surfaces (2021) (1)
- Why carbon monoxide is stable lying down on a negatively charged Ru(001) surface but not on Pt(111) (1985) (1)
- Insights into the overpotential for oxygen reduction on Pt and Pt skin alloys: A comparison of theory and experiment (2005) (1)
- Relaxation in ZnO (1010), (0001), and (0001) Surfaces and the Adsorption of CO. (1986) (1)
- Electrochemical Charge Transfer to Diamond (2006) (1)
- Predictions of Cation Distributions in AB2O4 Spinels from Normalized Ion Energies. (1989) (1)
- Calculation of Hypersonic Shock-Layer Flow Parameters, Knowing Shock-Layer Ratio of Specific Heats (1960) (1)
- Abstracts of articlesBonding at the α-Al2O3(001) / Pt(111) interface Molecular orbital theory (1987) (1)
- Mechanism for Propylene Oxidation to Acrolein on Bi2Mo3O12: A Quantum Chemical Study. (1986) (0)
- THEORY OF MOLECULAR POTENTIALS (1973) (0)
- First-Principle Theory to Understand Autocatalysis in Electroless Cu Deposition (2016) (0)
- Cyclic Voltmogram for HUPD on Pt(111) Calculated from Total Gibbs Energies (2012) (0)
- Reconditioning an Old Water Main (1936) (0)
- IS THEORY READY TO PREDICT STRUCTURES OF SOLIDS FROM SCRATCH (1976) (0)
- Metallic Film Formation at Low Temperatures. (1946) (0)
- Electrochemical Transfer Doping of Carbon Nanotubes, Graphene and Other Semiconductors (2011) (0)
- Adsorption of H, CO, CH2, CH3, and C2H4 on MoC (1991) (0)
- Comments on Ohwada’s pairwise interaction model for polyatomic force fields (1980) (0)
- HxMoO3 Bronzes: Structures, Stabilities, and Electronic Properties. (1988) (0)
- Invited) Reversible Potentials for Adsorbed Intermediates During Methanol and Formic Acid Electrooxidation On Platinum. Implications for Fuel Cells and Carbon Dioxide Reduction (2013) (0)
- Village look-ups, round-houses and cages (1941) (0)
- Point Defects in Crystals: A Quantum Chemical Methodology and its Application (2013) (0)
- Electroreduction of O2 on Selenium Nanotubes: Theoretical Prediction (2009) (0)
- Photodimerization of Cyclohexene and Methane by Decatungstate Anions: MO Theory (1990) (0)
- Molecular orbital studies in oxidation: Sulfate formation and metal-metal oxide adhesion (1985) (0)
- Activation of Methane on Iron, Nickel, and Platinum Surfaces. A Molecular Orbital Study (1988) (0)
- Reaction Energies for Electrode Surface Atom Insertion into R-H Bonds and Their Dependence on Electrode Potential: Application to Pt(111) (2015) (0)
- Hydrogen on zinc oxide. Theory of its heterolytic adsorption (2002) (0)
- Mechanism for chelated sulfate formation from sulfur dioxide and bis(triphenylphosphine)platinum (1985) (0)
- Factors Determining CO Adsorption Sites on Pd and Pt (100) and (111) Surfaces: Theoretical Study (1986) (0)
- NEW QUESTIONS FOR QUANTUM CHEMISTRY (1979) (0)
- $\alpha$-METHYL C-H BOND STRENGTH: A MO ANALYSIS (1983) (0)
- A SIMPLE POTENTIAL ENERGY FUNCTION FOR $CO_{2}$ VIBRATIONAL ANALYSIS (1972) (0)
- Electrochemical Charge Transfer to Diamond and Other Materials (2011) (0)
- MECHANISM OF DISSOLUTION AND PASSIVATION OF IRON IN AN AQUEOUS MEDIUM: ACTIVE AND TRANSITION RANGES (1983) (0)
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