Philip Jeffrey Hay

Philip Jeffrey Hay's AcademicInfluence.com Rankings

Philip Jeffrey Hay

Chemistry

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Chemistry

Philip Jeffrey Hay's Degrees

PhD Chemistry University of California, Berkeley

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Philip Jeffrey Hay'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

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals (1985) (11287)
Ab initio effective core potentials for molecular calculations (1984) (10495)
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi (1985) (7481)
Gaussian basis sets for molecular calculations. The representation of 3d orbitals in transition‐metal atoms (1977) (1467)
Orbital interactions in metal dimer complexes (1975) (1029)
Revised Basis Sets for the LANL Effective Core Potentials. (2008) (981)
Theoretical Studies of the Ground and Excited Electronic States in Cyclometalated Phenylpyridine Ir(III) Complexes Using Density Functional Theory (2002) (596)
Gaussian Basis Sets for Molecular Calculations (1977) (505)
Generalized valence bond description of bonding in low-lying states of molecules (1973) (391)
Hydrolysis of ferric ion in water and conformational equilibrium (1997) (320)
Self‐Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2 (1972) (317)
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional. (2006) (219)
Density functional calculations on first‐row transition metals (1994) (216)
Geometries and energies of the excited states of O3 from ab initio potential energy surfaces (1977) (194)
Configuration interaction studies of O3 and O+3. Ground and excited states (1975) (194)
Theoretical Studies of the Properties and Solution Chemistry of AnO22+and AnO2+Aquo Complexes for An = U, Np, and Pu (2000) (185)
Relativistic contributions to the low‐lying excitation energies and ionization potentials of the transition metals (1981) (176)
Synthesis of Imido Analogs of the Uranyl Ion (2005) (175)
The covalent and ionic states of the xenon halides (1978) (166)
Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2− (X=F, Cl, OH) and AnF6 (An=U, Np, Pu) (1999) (143)
Ab initio configuration interaction studies of the π-electron states of benzene (1974) (142)
Organometallic uranium(V)-imido halide complexes: from synthesis to electronic structure and bonding. (2008) (142)
The covalent and ionic states of the rare gas monofluorides (1978) (138)
Molecular properties of N2 and CO2 as functions of nuclear geometry: Polarizabilities, quadrupole moments, and dipole moments (1979) (138)
The A 2Π–X 2Σ+ red and B 2Σ+–X 2Σ+ violet systems of the CN radical: Accurate multireference configuration interaction calculations of the radiative transition probabilities (1988) (136)
Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6 (1998) (132)
Investigation of the effects of boron on Ni 3 Al grain boundaries by atomistic simulations (1990) (127)
Ab initio studies of AuH, AuCl, HgH and HgCl2 using relativistic effective core potentials (1978) (126)
Polarization CI wavefunctions: the valence states of the NH radical (1976) (120)
Photodissociation of ozone in the Hartley band. Exploratory potential energy surfaces and molecular dynamics (1982) (120)
Effective Core Potentials for DFT Calculations (1995) (114)
The electronic states of KrF (1977) (113)
Low‐lying electronic states of the rare gas oxides (1977) (111)
Theoretical study of curve crossing: ab initio calculations on the four lowest 1Σ+ states of LiF (1974) (105)
Relativistic effects in ab initio effective core potentials for molecular calculations. Applications to the uranium atom (1978) (101)
Crown ether inclusion complexes of the early actinide elements, [AnO2(18-crown-6)]n+, An = U, Np, Pu and n = 1, 2: a relativistic density functional study. (2008) (100)
Electronic states of Zn2. Ab initio calculations of a prototype for Hg2 (1976) (99)
Quantum chemical studies of acid sites in zeolite ZSM-5 (1993) (99)
Ab initio studies of the electronic structure of UF6, UF6/+/, and UF6/-/ using relativistic effective core potentials (1979) (95)
Synthesis and reactivity of the imido analogues of the uranyl ion. (2006) (94)
Electronic states of KrF (1976) (92)
Theoretical Study of Stable Trans and Cis Isomers in [UO(2)(OH)(4)](2-) Using Relativistic Density Functional Theory. (1998) (92)
Evidence for the involvement of 5f orbitals in the bonding and reactivity of organometallic actinide compounds: thorium(IV) and uranium(IV) bis(hydrazonato) complexes. (2008) (90)
Density and wave function analysis of actinide complexes: what can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us? (2004) (82)
Theoretical investigations of uranyl-ligand bonding: four- and five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes. (2005) (82)
Ab initio quantum chemical calculations of aluminum substitution in zeolite ZSM-5 (1991) (75)
Systematic studies of early actinide complexes: uranium(IV) fluoroketimides. (2007) (74)
An ab initio study of the bonding in diatomic nickel (1980) (74)
Defining Electronic Excited States Using Time-Resolved Infrared Spectroscopy and Density Functional Theory Calculations† (2004) (73)
Theoretical studies of the valence electronic states and the 1Πu←X1Σ+g absorption spectrum of the F2 molecule (1979) (70)
Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches. (2004) (70)
Theoretical results for the excited states of ozone (1972) (69)
Ab initio effective core potentials for molecular calculations. II. All‐electron comparisons and modifications of the procedure (1978) (68)
Electron correlation effects on the N2–N2 interaction (1984) (68)
Highly diastereoselective additions to polyhydroxylated pyrrolidine cyclic imines: ready elaboration of aza-sugar scaffolds to create diverse carbohydrate-processing enzyme probes. (2003) (67)
Electronic states of Ar2F and Kr2F (1978) (66)
Tris(bis(trimethylsilyl)amido)samarium: X-ray structure and DFT study. (2003) (65)
Hydrogen evolution from organic "hydrides". (2005) (65)
An effective core potential study of the mono‐ and tetracarbonyls of Ni, Pd, and Pt (1985) (63)
Ab initio theoretical studies of dihydrogen coordination vs. oxidative addition of H2 to five-coordinate tungsten complexes (1987) (63)
Spin–orbit coupling and inelastic transitions in collisions of O(1D) with Ar, Kr, and Xe (1979) (63)
Generalized valence bond wavefunctions for the low lying states of methylene (1972) (62)
The relative energies of SF−6 and SF6 as a function of geometry (1982) (62)
Role of d and f orbitals in the geometries of low-valent actinide compounds. Ab initio studies of U(CH{sub 3}){sub 3}, Np(CH{sub 3}){sub 3}, and Pu(CH{sub 3}){sub 3} (1992) (61)
All‐electron and valence‐electron calculations on AgH, Ag2, and AgO (1985) (59)
Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase. (2008) (59)
Generalized valence bond description of simple alkanes, ethylene, and acetylene (1972) (58)
On the calculation of natural orbitals by perturbation theory (1973) (58)
Theoretical Studies of Molecular Electronic Transition Lasers (1979) (57)
An effective core potential investigation of Ni, Pd, and Pt and their monohydrides (1986) (55)
Theoretical evidence for bound electronic excited states of ozone (1973) (55)
The lowest excited 1A2 and 1B1 states of ozone: Two conical intersections and their impact on photodissociation (1991) (54)
Relativistic and nonrelativistic effective core potentials for xenon. Applications to XeF, Xe2, and Xe2+ (1978) (54)
Generalized valence bond studies of the electronic structure of SF/sub 2/, SF/sub 4/, and SF/sub 6/ (1977) (54)
Generalized valence bond calculations on the ground state (X 1Σ+g) of nitrogen (1976) (54)
Application of Gradient-Corrected Density Functional Theory to the Structures and Thermochemistries of $\mbox{ScF}_3$, $\mbox{TiF}_4$, $\mbox{VF}_5$, and $\mbox{CrF}_6$ (1995) (54)
Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6). (2004) (52)
Theoretical studies of grain boundaries in Ni3Al with boron or sulfur (1989) (50)
Synthesis and x-ray structure of (C5Me5)2Th(.mu.-PPh2)2Pt(PMe3): a complex with a thorium-platinum bond (1986) (49)
Microscopic model of carbon monoxide binding to myoglobin (2000) (49)
Dearomatization and functionalization of terpyridine by lutetium(III) alkyl complexes. (2006) (48)
Existence and Stability of Lanthanide−Main Group Element Multiple Bonds. New Paradigms in the Bonding of the 4f Elements. A DFT Study of Cp2CeZ (Z = F+, O, NH, CH-, CH2) and the Ligand Adduct Cp2Ce(CH2)(NH3) (2005) (48)
Theoretical study of O--O single bond formation in the oxidation of water by the ruthenium blue dimer. (2011) (47)
Nitrogen inversion as a diastereomeric relay in azasugar synthesis: the first synthesis of adenophorine. (2003) (46)
Binding of ethylene to platinum and palladium. An ab initio study of the MCl/sub 3/(C/sub 2/H/sub 4/)/sup -/ species (1981) (46)
Abinitio studies of excited states of polyatomic molecules including spin‐orbit and multiplet effects: The electronic states of UF6 (1983) (46)
Oxidative addition of hydrogen to bis(phosphine)platinum(0) complexes: an ab initio theoretical treatment (1982) (45)
DFT Study of Tris(bis(trimethylsilyl)methyl)lanthanum and -samarium (2002) (42)
Radiative Lifetimes for the A2II and B2SIGMA+ Electronic States of the CN Molecule (1982) (42)
Covalency trends in group IV metallocene dichlorides. chlorine K-edge X-ray absorption spectroscopy and time dependent-density functional theory. (2008) (41)
Electronic states of the quadruply bonded Re/sub 2/Cl/sub 8//sup 2 -/ species: an ab initio theoretical study (1982) (40)
Potential energy curves and spectral properties for electronic states of F2 and F+2 (1987) (40)
Theoretical study of dimeric forms of ground-state benzene molecules (1984) (40)
Theoretical investigations of the trimethylene biradical (1972) (39)
Titanium(IV) Trifluoromethyl Complexes: New Perspectives on Bonding from Organometallic Fluorocarbon Chemistry (2012) (37)
Excited states and positive ions of sulfur hexafluoride (1977) (36)
Electronic states of Cr(CO)/sub 5/ (1978) (36)
Charge distributions and effective atomic charges in transition-metal complexes using generalized atomic polar tensors and topological analysis (1990) (35)
Elastic scattering of electrons from F2: An R-matrix calculation (1976) (34)
Theoretical studies of chemisorbed oxygen on Ag(110) (1983) (34)
The structure and bonding of F2O2 (1987) (34)
Ab initio static polarisabilities of N2 and linear symmetric CO2 in the Hartree-Fock approximation: variation with internuclear separation (1977) (34)
Theoretical studies of pentene cracking on zeolites: C-C β-scission processes (1999) (33)
The low‐lying electronic states of Ar2F (1977) (32)
Ab initio adiabatic polarization potentials for low-energy electron-molecule and positron-molecule collisions: The e-N/sub 2/ and e-CO/sub 2/ systems (1979) (32)
Systematic studies of early actinide complexes: thorium(IV) fluoroketimides. (2007) (31)
AB INITIO STUDIES OF THE ELECTRONIC STRUCTURE AND GEOMETRY OF URANIUM PENTAFLUORIDE USING RELATIVISTIC EFFECTIVE CORE POTENTIALS (1979) (31)
Electronic structure of borabenzene and its adducts with carbon monoxide and nitrogen (1990) (30)
Investigation of the role of triplet states in the Wulf bands of ozone (1995) (30)
Dinuclear Trivalent and Mixed-Valence Uranium [(−CH2−)5]4-calix[4]tetrapyrrole Complexes with Short Intermetallic Distances (2001) (29)
Theoretical Studies of the Electronic Structure of Compounds of the Actinide Elements (2006) (29)
Theoretical studies of M8C12 species (1993) (29)
Large-scale configuration interaction calculations on the π-electron states of benzene (1973) (29)
Ab initio theoretical studies of a novel tungsten dihydrogen complex (1984) (29)
Theoretical Studies of CO and NO Adsorption on Cu+−ZSM-5 Zeolite (1997) (28)
A theoretical study of possible benzene dimerizations under high‐pressure conditions (1983) (28)
THE SYNTHESIS AND ACTINIDE AND LANTHANIDE COMPLEXATION OF“ SOFT” DONOR LIGANDS: COMPARISON BETWEEN 4-BENZOYL-2,4-DIHYDRO-5-METHYL-2-PHENYL-3H-PYRAZOL-3-THIONE ( HBMPPT) AND 4-THIOBENZOYL-2,4-DIHYDRO-5-METHYL-2-PHENYL-3H-PYRAZOL-3-ONE ( HTBMPP) WITH TRI-n-OCTYLPHOSPHINE OXIDE (TOPO) SYNERGIST FOR Am( (1989) (28)
A comparative study of pi-arene-bridged lanthanum arylamide and aryloxide dimers. Solution behavior, exchange mechanisms, and X-ray crystal structures of La2(NH-2,6-iPr2C6H3)6, La(NH-2,6-iPr2C6H3)3(THF)3, and La(NH-2,6-iPr2C6H3)3(py)2. (2004) (26)
Theoretical Studies of the sp2 versus sp3 C−H Bond Activation Chemistry of 2-Picoline by (C5Me5)2An(CH3)2 Complexes (An = Th, U) (2008) (26)
Theoretical investigations of the low‐lying doublet states of NO2 (1973) (25)
Electronic structure, excited states, and photoelectron spectra of uranium, thorium, and zirconium bis(Ketimido) complexes (C5R5)2M[-NCPh2]2 (M = Th, U, Zr; R = H, CH3). (2005) (24)
Theoretical investigation of uranyl dihydroxide: oxo ligand exchange, water catalysis, and vibrational spectra. (2005) (24)
Ab initio studies of the metal-metal bond in octachlorodirhenate(2-) (1978) (24)
Rydberg, ionic, and valence interactions in the excited states of F2 (1976) (22)
Theoretical studies of CO adsorption on H-ZSM-5 and hydrothermally treated H-ZSM-5 (1997) (21)
Theoretical investigations of classical and nonclassical structures of MH7L2 polyhydride complexes of rhenium and technetium (1992) (18)
The effect of symmetry restrictions upon the hyperfine properties (1971) (18)
Experimental and Theoretical Studies on Nb4C40/+: Reactivity and Structure of the Smallest Cubic Niobium-Carbon Cluster (1995) (18)
Bound and resonant molecular states formed from and dissociating to atoms and ions which do not exist (1976) (16)
Proton relay and electron flow in the O–O single bond formation in water oxidation by the ruthenium blue dimer (2012) (15)
Electronic Structure of Molecules Using Relativistic Effective Core Potentials (1981) (14)
Theoretical studies of organometallic complexes of uranium involving nitrogen ligands using density functional approaches. (2003) (14)
An Assessment of Density Functional Methods for Calculating Thermochemistries of Si−H−Cl Compounds (1996) (13)
Vibrational frequencies of transition metal chloride and oxo compounds using effective core potential analytic second derivatives (1995) (12)
Ab initio treatment of the structures of square-planar Pt(PH/sub 3/)/sub 2/XY species (X, Y = H, Cl) using relativistic effective core potentials (1982) (10)
Elastic scattering of electrons from F2 (1976) (10)
Cluster studies of La2CuO4: CuO6 (1993) (9)
Computational Studies of Cobalt-Substituted Aluminophosphates † (2000) (8)
Theoretical studies of H2 desorption processes in chemical vapor deposition of boron-doped silicon surfaces (1999) (8)
Theoretical study of water oxidation by the ruthenium blue dimer. II. Proton relay chain mechanism for the step [bpy2(HOO)Ru(IV)ORu(IV)(OH)bpy2]4+ → [bpy2(O2(–))Ru(IV)ORu(III)(OH2)bpy2]4+. (2013) (7)
Intramolecular and dissociation dynamics of the CF2Br radical (1992) (7)
Adsorption of ethane and ethene in Na–Y studied by inelastic neutron scattering and computation (2000) (6)
Estimation of the integral cross section for dissociative excitation of F2 by electron impact (1991) (6)
Synthesis and reactivity of the hydrido- and alkylrhenium methylidene complexes Cp*(PMe3)2(R)Re=CH2 (R = H, CH3). (2004) (6)
CALCULATION OF A REACTION PATH FOR KOH CATALYZED RING-OPENING POLYMERIZATION OF HEXAMETHYLCYCLOTRISILOXANE (1997) (6)
Theoretical Study of Stable trans and cis Isomers in [UO2(OH)4]2- Using Relativistic Density Functional Theory. (1998) (6)
A theoretical study of bond energies in model Si–H–Cl molecules using density functional approaches for representing Si surface chemistry (1997) (5)
On the structures, binding energies and entropies of the complex ions NO + · N 2, NO + · O 2 and NO + · CO 2 (1990) (5)
Theoretical studies of the structures and electronic properties of U(NH2)3 and Np(NH2)3 (1994) (5)
Computational Studies of Actinide Chemistry (2000) (5)
Hydrogen Evolution from Organic “Hydrides”. (2006) (5)
Density functional calculations on actinide compounds: Survey of recent progress and application to [UO2X4]2- (X=F, Cl, OH) and AnF6 (An=U, Np, Pu) (1999) (5)
Theoretical Studies of Hydrogen and Water Adsorption on Actinide Oxide Surfaces (2005) (5)
Generalized valence bond studies of the electronic structure of sulfur difluoride, sulfur tetrafluoride, and sulfur hexafluoride (1977) (4)
Erratum: Theoretical studies of the valence electronic states and the 1Πu←X 1Σg+ absorption spectrum of the F2 molecule [J. Chem. Phys. 70, 3191 (1979)] (1980) (4)
Materials by design. A hierarchical approach to the design of new materials (1985) (4)
Density Functional Theory Investigations of the Forbidden Double Insertion of Diazomethane into Zr−C Bonds of Cp2Zr(CH3)2 (2007) (4)
Theoretical studies of Ni/sub 3/Al and NiAl with impurities (1988) (3)
Effects of B and S on Ni3Al Grain Boundaries (1989) (3)
Theoretical studies of pentene cracking on zeolites: C-C beta-scission processes (1997) (2)
Computational Chemistry for Nuclear Waste Characterization and Processing: Relativistic Quantum Chemistry of Actinides (2002) (2)
Beyond Molecular Orbital Theory: The Impact of Generalized Valence Bond Theory in Molecular Science (2021) (2)
Calculation of a Reaction Path for KOH-Catalyzed Ring-Opening Polymerization of Cyclic Siloxanes (2000) (2)
Theoretical Investigations of Uranyl—Ligand Bonding: Four- and Five-Coordinate Uranyl Cyanide, Isocyanide, Carbonyl, and Hydroxide Complexes (2005) (2)
ELECTRONIC STATES OF PENTACARBONYLCHROMIUM (1978) (1)
EXCITED ELECTRONIC STATES OF $SF_{6}$ (1976) (1)
RELATIVISTIC AB-INITIO EFFECTIVE CORE POTENTIALS (1977) (1)
THE BINDING OF ETHYLENE TO PLATINUM AND PALLADIUM. AN AB INITIO STUDY OF THE MCL3(C2H4)- SPECIES (1981) (1)
Electronic structure and reactions of transition metal complexes using effective core potentials (1986) (1)
A /sup 2/Pi--X /sup 2//Sigma//sup +/ red and B /sup 2//Sigma//sup +/--X /sup 2//Sigma//sup +/ violet systems of the CN radical: Accurate multireference configuration interaction calculations of the radiative transition probabilities (1988) (1)
A THEORETICAL STUDY OF POSSIBLE BENZENE DIMERIZATIONS UNDER HIGH-PRESSURE CONDITIONS (1984) (1)
ELECTRONIC STRUCTURE AND GEOMETRY OF $UF_{5}$ (1979) (0)
THE LOW-LYING ELECTRONIC STATES OF HgH (1978) (0)
Theoretical studies of the structures and electronic properties of U(NH2)(sub 3) and Np(NH2)(sub 3) (1993) (0)
Theoretical Studies of M8C12 Species. (1993) (0)
Molecular electronic structure approaches to finite assemblies as models for platinum-halogen and other one-dimensional M-X chain compounds (1991) (0)
New approaches for quantum chemical calculations on very large molecules (1996) (0)
Challenges and recent advances in chemical hydrogen storage (2006) (0)
THE LOW-LYING STATFS OF THE POSITIVE AND NEGATIVE IONS OF OZONE (1976) (0)
2-( 2-Methyl-5-nitroimidazolyl ) ethyl ]-4-( 2-nitroimidazolyl ) butanamide ( NSC 639862 ) , a Bisnitroimidazole with Enhanced Selectivity as a Bioreductive Drug 1 (2006) (0)
Electron correlation effects on the N/sub 2/--N/sub 2/ interaction (1984) (0)
Electronic states of the quadruply bonded Re2Cl82- species: an ab initio theoretical study (1983) (0)
THE LOW-LYING ELECTRONIC STATES OF $Zn_{2}$. (1976) (0)
Theoretical studies of the structures and electronic properties of U(NH{sub 2}){sub 3} and Np(NH{sub 2}){sub 3} (1993) (0)
THE $\Pi$-ELECTRON STATES OF BENZENE (1972) (0)
Structure and bonding of F/sub 2/O/sub 2/ (1987) (0)
THE VALENCE STATES OF NH (1976) (0)
Erratum: Spin‐orbit coupling and inelastic transitions in collisions of O(1D) with Ar, Kr, and Xe [J. Chem. Phys. 71, 2955 (1979)] (1982) (0)
North York Moors National Park (2008) (0)
THE IMPORTANCE OF RELATIVISTIC EFFECTS FOR CALCULATING SPECTROSCOPIC CONSTANTS FOR MOLECULES CONTAINING VERY HEAVY ATOMS (1978) (0)
AB INITIO CONFIGURATION INTERACTION STUDIES OF THE PI-ELECTRON STATES OF BENZENE (1974) (0)
THE LOW-LYING ELECTRONIC STATES OF HgCl AND HgBr (1978) (0)
Theoretical studies of actinyl crown ether inclusion complexes (2001) (0)
Theoretical Studies of Grain Boundaries in Ni, Al, and Ni 3 Al with and without Boron (1988) (0)
Density Functional Theory Calculation of Barrier to Ligand Binding in Myoglobin (1999) (0)
GENERALIZED VALENCE BOND ORBITALS FOR DIBORANE AND OTHER MOLECULES (1971) (0)
Relative energies of SF/sup -//sub 6/ and SF/sub 6/ as a function of geometry (1982) (0)
MULTIPLE BONDING BETWEEN LANTHANIDE ATOMS AND MAIN GROUP ELEMENTS: EXPERIMENT AND THEORY (2002) (0)
Supercomputer requirements for theoretical chemistry (1980) (0)
THE IMPORTANCE OF SPATIAL SYMMETRY RESTRICTIONS UPON THE THEORETICAL VALUES FOR HYPERFINE PROPERTIES (1971) (0)
Theoretical Studies of Oxidative Addition and Reductive Elimination of Hydrogen and Alkanes (1992) (0)
Report on DOE - industry workshop on Computer-Aided Catalyst Design (CACD) (1994) (0)
THE EXCITED STATES OF $O_{3}$ REVISITED (1976) (0)
Ab initio studies of the electronic structrue of UF/sub 6/, UF/sub 6//sup +/, and UF/sup -//sub 6/ using relativistic effective core potentials (1979) (0)
THEORETICAL CALCULATION OF THE LOW LYING EXCITED STATES OF LiF (1973) (0)
Ab initio studies of transition-metal dihydrogen chemistry (1988) (0)
Probing adsorbate structure in catalytic materials using inelastic neutron scattering (2003) (0)
THE LOW-LYING STATES OF $Ar_{2}F$ (1977) (0)
Theoretical Investigation of Uranyl Dihydroxide: Oxo Ligand Exchange, Water Catalysis, and Vibrational Spectra (2005) (0)
I. The generalized valence bond theory of electronic structure. II. An orbital interpretation of superexchange in antiferromagnetic insulators (1972) (0)
Theoretical studies of the structure and properties of cobalt-substituted aluminophosphates (1998) (0)
ACCURATE MULTIREFERENCE-CI CALCULATIONS OF RADIATIVE TRANSITION PROBABILITIES. III. ELECTRONIC TRANSITIONS BETWEEN THE A AND X STATES OF CN, THE X,A, AND B STATES OF $C_{2}^{-}$, AND THE LOWEST FIVE TRIPLET STATES OF $N_{2}$ (1984) (0)
Ab initio Theoretical Studies of Dihydrogen Coordination vs. Oxidative Addition of H2 to Five-Coordinate Tungsten Complexes. (1987) (0)
EXCITED STATES OF THE OZONE MOLECULE (1972) (0)
All-Electron and Valence-Electron Calculations on AgH, Ag2, and AgO. (1986) (0)
Structure and Dynamics of Quasi-Ordered Systems (1999) (0)
GENERALIZED VALENCE BOND ORBITALS OF CYCLOPROPANE AND OTHER HYDROCARBONS (1971) (0)
Molecular spectroscopy of actinide-ketimido complexes (2004) (0)
Surface science lettersTheoretical studies of chemisorbed oxygen on Ag(110) (1983) (0)
RYDBERG, IONIC AND VALENCE STATE INTERACTIONS IN THE EXCITED STATES OF $F_{2}$ (1976) (0)
THEORETICALCALCULATIONS ON THE EXCITED STATES OF $ NO_{2}$ AND $O_{3} $ (1973) (0)

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