Noel Hush
#69,560
Most Influential Person Now
Australian chemist
Noel Hush's AcademicInfluence.com Rankings
Download Badge
Chemistry
Why Is Noel Hush Influential?
(Suggest an Edit or Addition)According to Wikipedia, Noel Sydney Hush was an Australian chemist at the University of Sydney. Career Hush was born in Sydney on 15 December 1924 and obtained his BSc hons and MSc at the University of Sydney, where he worked as a research fellow in the Department of Chemistry . He then accepted an invitation from M. G. Evans FRS to work in England as an assistant lecturer at the University of Manchester in the department created by Michael Polanyi. He was subsequently lecturer and then reader in the Department of Chemistry, University of Bristol .
Noel Hush'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
- Adiabatic Rate Processes at Electrodes. I. Energy-Charge Relationships (1958) (644)
- Homogeneous and heterogeneous optical and thermal electron transfer (1968) (609)
- Adiabatic theory of outer sphere electron-transfer reactions in solution (1961) (570)
- Distance Dependence of Electron Transfer Rates (1985) (474)
- Intervalence‐Transfer Absorption. Part 2. Theoretical Considerations and Spectroscopic Data (2007) (452)
- Long-range photoinduced through-bond electron transfer and radiative recombination via rigid nonconjugated bridges: distance and solvent dependence (1987) (363)
- Ionization potentials and donor properties of nucleic acid bases and related compounds (1975) (229)
- Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires (2000) (225)
- All-Valence Electron CNDO Calculations on Transition Metal Complexes (1972) (187)
- Reactions of molecules at electrodes (1971) (171)
- Ionization potentials and electron affinities of conjugated hydrocarbon molecules and radicals (1955) (158)
- Mixed valence: origins and developments (2008) (125)
- Adsorption of Benzene on Copper, Silver, and Gold Surfaces. (2006) (123)
- The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction. (2005) (122)
- Carbon monoxide bond length, force constant and infrared intensity variations in strong electric fields: Valence-shell calculations, with applications to properties of adsorbed and complexed CO (1974) (118)
- Weak, strong, and coherent regimes of Fröhlich condensation and their applications to terahertz medicine and quantum consciousness (2009) (117)
- Finite field method calculations. VI. Raman scatering activities, infrared absorption intensities and higher-order moments: SCF and CI calculations for the isotopic derivatives of H2O and SCF calculations for CH4 (1980) (113)
- Distance dependence of photoinduced electron transfer through non-conjugated bridges (1985) (111)
- An Overview of the First Half‐Century of Molecular Electronics (2003) (111)
- Light-induced giant dipoles in simple model compounds for photosynthesis (1986) (107)
- Reduction potentials of some metal phthalocyanines (1976) (100)
- Optical and thermal electron transfer in rigid difunctional molecules of fixed distance and orientation (1987) (97)
- Inequivalent XPS binding energies in symmetrical delocalized mixed-valence complexes (1975) (96)
- Adsorption of ammonia on the gold (111) surface (2002) (96)
- Switchable electronic coupling in model oligoporphyrin molecular wires examined through the measurement and assignment of electronic absorption spectra. (2002) (94)
- Gold surfaces and nanoparticles are protected by Au(0)–thiyl species and are destroyed when Au(I)–thiolates form (2016) (93)
- Intervalence‐Transfer Absorption. Part 1. Qualitative Evidence for Intervalence‐Transfer Absorption in Inorganic Systems in Solution and in the Solid State (2007) (89)
- Electronic properties of transition-metal complexes determined from electroabsorption (Stark) spectroscopy. 2. Mononuclear complexes of ruthenium(II) (1991) (88)
- Electron transfer in retrospect and prospect 1: Adiabatic electrode processes (1999) (86)
- Electron transfer and energy transfer through bridged systems. I. Formalism (1989) (86)
- Successive One-Electron Reduction Potentials of Porphins and Metal Prophins in Dimethylformamide (1965) (86)
- The coupled-pair approximation in a basis of independent-pair natural orbitals (1976) (85)
- The Appropriateness of Density‐Functional Theory for the Calculation of Molecular Electronics Properties (2003) (84)
- Understanding the inelastic electron-tunneling spectra of alkanedithiols on gold. (2006) (83)
- Electron transfer and energy transfer through bridged systems. 4. Intermetallic coupling and electronic spectra of the bis(pentaammineruthenium) complexes of .alpha.,.omega.-dipyridyl trans-polyenes in deuterium oxide (1990) (83)
- Adsorption of Pyridine on the Gold(111) Surface: Implications for “Alligator Clips” for Molecular Wires (2002) (82)
- Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasible. (2009) (79)
- Long-range exchange contribution to singlet-singlet energy transfer in a series of rigid bichromophoric molecules (1988) (79)
- Modulation of valence orbital levels of metalloporphyrins by .beta.-substitution: evidence from spectroscopic and electrochemical studies of 2-substituted metallo-5,10,15,20-tetraphenylporphyrins (1991) (78)
- The infrared absorption intensities of the water molecule: A quantum chemical study (1986) (77)
- The validity of electrostatic predictions of the shapes of van der Waals dimers (1985) (76)
- The electronic absorption spectra of phthalocyanine monomers and dimers (1971) (74)
- Competition of van der Waals and chemical forces on gold–sulfur surfaces and nanoparticles (2017) (72)
- Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC molecules (1978) (71)
- The prediction of nuclear quadrupole moments from abinitio quantum chemical studies on small molecules. I. The electric field gradients at the 14N and 2H nuclei in N2, NO, NO+, CN, CN−, HCN, HNC, and NH3 (1987) (70)
- Electron and energy transfer through bridged systems. 6. Molecular switches: the critical field in electric field activated bistable molecules (1990) (69)
- Solvent effects on the electronic spectra of transition metal complexes. (2000) (68)
- Finite-perturbation SCF valence-shell calculations of molecular polarizability and hyperpolarizability components (1970) (66)
- An ab initio SCF calculation of the dipole-moment derivatives and infrared-absorption intensities of the water-dimer molecule (1983) (65)
- Understanding and Improving Solid-State Polymer/C60-Fullerene Bulk-Heterojunction Solar Cells Using Ternary Porphyrin Blends (2007) (64)
- Coexistence of multiple conformations in cysteamine monolayers on Au(111). (2005) (64)
- Vibrational Stark Spectroscopy. 1. Basic Theory and Application to the CO Stretch (1995) (63)
- Successful a priori modeling of CO adsorption on Pt(111) using periodic hybrid density functional theory. (2007) (62)
- Solvent Effects on Molecular and Ionic Spectra. 7. Modeling the Absorption and Electroabsorption Spectra of Pentaammine- ruthenium(II) Pyrazine and Its Conjugate Acid in Water (1996) (60)
- A priori method for propensity rules for inelastic electron tunneling spectroscopy of single-molecule conduction (2007) (60)
- A unified description of the electrochemical, charge distribution, and spectroscopic properties of the special-pair radical cation in bacterial photosynthesis. (2004) (59)
- Electron transfer in retrospect and prospect (1999) (59)
- Simulation of the Au(111)-(22 ×√3) surface reconstruction (2007) (59)
- Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. I. Geometry (1992) (58)
- Molecular electronic properties of fused rigid porphyrin-oligomer molecular wires (1996) (58)
- Finite field method calculations. V. Raman scattering activities and infrared absorption intensities for H2O, D2O, CH4 and CD4 (1979) (58)
- Mechanism of the ZnII/Zn(Hg) exchange: Part 1 : the Zn2+/Zn(Hg) exchange (1963) (56)
- Assignment of the Qy absorption spectrum of photosystem-I from Thermosynechococcus elongatus based on CAM-B3LYP calculations at the PW91-optimized protein structure. (2007) (56)
- The effects of couplings to symmetric and antisymmetric modes and minor asymmetry on the spectral properties of mixed-valence and related charge-transfer systems (1996) (55)
- The effect of intermolecular interactions on the 2H and 17O quadrupole coupling constants in ice and liquid water (1985) (55)
- Rigid Fused Oligoporphyrins as Potential Versatile Molecular Wires. 2. B3LYP and SCF Calculated Geometric and Electronic Properties of 98 Oligoporphyrin and Related Molecules (1999) (53)
- Quantum entanglement between electronic and vibrational degrees of freedom in molecules. (2011) (52)
- Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems (1977) (51)
- Density-functional geometry optimization of the 150,000-atom photosystem-I trimer. (2006) (51)
- Electron Interaction in Hydrocarbon Multiple Ions (1955) (51)
- Electron transfer and energy transfer through bridged systems. II, Tight binding linkages with zero asymptotic band gap (1990) (50)
- The electroreduction of organic iodides and organomercuric halides (1963) (49)
- Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. II. Charge density wave (1992) (47)
- The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. II. The electric field gradients at the 17O, 35Cl, and 2H nuclei in CO, NO+, OH−, H2O, CH2O, HCl, LiCl, and FCl (1987) (45)
- Reflectance spectrum and electronic states of the CuCl53- ion in a number of crystal lattices (1967) (45)
- Finite-field method calculations of molecular polarisabilities. I. Theoretical basis and limitations of SCF and Galerkin treatments (1977) (45)
- Vibrational Stark Spectroscopy. 2. Application to the CN Stretch in HCN and Acetonitrile (1996) (44)
- Electron delocalization in the mixed-valence .mu.-pyrazine-decaamminediruthenium(5+) ion (1976) (44)
- Finite-field method calculations. III. Dipole moment gradients, polarisability gradients and field-induced shifts in bond lengths, vibrational levels, (1977) (44)
- Optimization and Chemical Control of Porphyrin‐Based Molecular Wires and Switches (1998) (43)
- Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N2 (1978) (42)
- Rigid Fused Oligoporphyrins as Potential Versatile Molecular Wires. 1. Geometry and Connectivity of 1,4,5,8-Tetraazaanthracene-Bridged Systems (1994) (42)
- Molecular origins of conduction channels observed in shot-noise measurements. (2006) (41)
- Unlinked cluster effects in molecular electronic structure. III. Potential curve for the CN− ion and the adiabatic electron affinity of CN (1979) (41)
- Electron transfer and energy transfer through bridged systems III. Tight-binding linkages with zero or non-zero asymptotic band gap (1994) (40)
- Charge delocalization in the special-pair radical cation of mutant reaction centers of Rhodobacter sphaeroides from Stark spectra and nonadiabatic spectral simulations. (2006) (39)
- Finite electric field SCF calculations of molecular polarizabilities: Absolute polarizabilities (1970) (39)
- Influence of the Crystal‐Field Potential on Interionic Separation in Salts of Divalent Iron‐Group Ions (1958) (39)
- Quantum chemical study of the HCl molecule and its binary complexes with CO, C2H2, C2H4, PH3, H2S, HCN, H2O and NH3: Hydrogen bonding and its effect on the 35Cl nuclear quadrupole coupling constant (1990) (39)
- Modeling the bacterial photosynthetic reaction center. VII. Full simulation of the intervalence hole–transfer absorption spectrum of the special-pair radical cation (2003) (38)
- The analytic configuration interaction gradient method: The calculation of one electron properties (1987) (38)
- Modeling the bacterial photosynthetic reaction center. 4. The structural, electrochemical, and hydrogen-bonding properties of 22 mutants of Rhodobacter sphaeroides. (2001) (38)
- Homogeneous Conversion of Methane to Methanol. 2. Catalytic Activation of Methane by cis- and trans-Platin: A Density Functional Study of the Shilov Type Reaction (2000) (38)
- Binding energies of π- and “lone-pair”-levels in mono- and diaza-phenanthrenes and anthracenes: An He(I) photoelectron spectroscopic study (1975) (38)
- An ab initio SCF calculation of the polarizability tensor, polarizability derivatives and Raman scattering activities of the water-dimer molecule (1984) (38)
- Solvent effects on molecular spectra. III. Absorption to and emission from the lowest singlet (n,π*) state of dilute pyrimidine in water (1993) (37)
- A priori calculations of the free energy of formation from solution of polymorphic self-assembled monolayers (2015) (37)
- Inter-porphyrin coupling: how strong should it be for molecular electronics applications? (2002) (36)
- Solvent effects on metal to ligand charge transfer excitations (1998) (36)
- An ab initio quantum chemical study of the hydrogen‐ and ‘‘anti’’‐hydrogen‐bonded HF/ClF and HF/Cl2 dimers (1987) (36)
- Donor, acceptor, and self-quenching of the giant-dipole state of a rigid, σ-bond separated, donor-acceptor molecular assembly (1986) (36)
- The Nature of the Near-Infrared Electronic Absorption at 1250 nm in the Spectra of the Radical Cations of the Special Pairs in the Photosynthetic Reaction Centers of Rhodobacter sphaeroides and Rhodopseudomonas Viridis (1995) (35)
- Binding to gold(0): Accurate computational methods with application to AuNH3 (2002) (34)
- Modeling the Bacterial Photosynthetic Reaction Center. 2. A Combined Quantum Mechanical/Molecular Mechanical Study of the Structure of the Cofactors in the Reaction Centers of Purple Bacteria (1999) (34)
- Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections. (2015) (34)
- MODELING THE BACTERIAL PHOTOSYNTHETIC REACTION CENTER. 1. MAGNESIUM PARAMETERS FOR THE SEMIEMPIRICAL AM1 METHOD DEVELOPED USING A GENETIC ALGORITHM (1998) (34)
- The Mechanism of Inner-Hydrogen Migration in Free Base Porphyrin: Ab Initio MP2 Calculations (1995) (34)
- Gold Mining by Alkanethiol Radicals: Vacancies and Pits in the Self-Assembled Monolayers of 1-Propanethiol and 1-Butanethiol on Au(111) (2011) (33)
- Sulfur ligand mediated electrochemistry of gold surfaces and nanoparticles: What, how, and why (2017) (32)
- Formation of gold-methanethiyl self-assembled monolayers. (2007) (32)
- The effects of intermolecular interactions on the electric field gradients in ice and liquid water (1987) (31)
- Variable-Temperature Ultraviolet Photoelectron-Spectroscopy of the Keto-Enol Tautomers of Pentane-2,4-Dione (1987) (30)
- Mechanism of the ZnII/Zn(Hg) exchange: Part 2: catalysis by halide and thiocyanatk ions (1963) (30)
- A quantum chemical computational study of the relative stabilities of cis- and trans-platinum dichloride in aqueous solution (2005) (29)
- The symmetry of single-molecule conduction. (2006) (29)
- Vibrational Stark Spectroscopy 3. Accurate Benchmark ab Initio and Density Functional Calculations for CO and CN (1999) (29)
- Radii of Transition Ions in Crystal Fields (1957) (29)
- Scanning Tunneling Microscopic Observation of Adatom-Mediated Motifs on Gold−Thiol Self-Assembled Monolayers at High Coverage (2009) (29)
- Chain-branching control of the atomic structure of alkanethiol-based gold-sulfur interfaces. (2011) (29)
- Solvent effects on molecular spectra. I. Normal pressure and temperature Monte Carlo simulations of the structure of dilute pyrimidine in water (1993) (28)
- Homogeneous Conversion of Methane to Methanol. 1. Catalytic Activation and Functionalization of Methane by cis-Platin in Sulfuric Acid: A Density Functional Study of the Thermochemistry (1999) (28)
- Solvent effects on molecular spectra. II. Simulations of hydrated clusters and dilute solutions of pyrimidine in its lowest (n,π*) singlet excited state (1993) (27)
- Ab initio polarizability derivatives for methane: an application to Raman intensities of overtone and combination bands (1991) (27)
- 878. The negative ions of some porphin and phthalocyanine derivatives, and their electronic spectra (1964) (27)
- Ab initio quantum chemical study of the molecular and spectroscopic (infrared and Raman) properties of sulfur dioxide: Comparison with ozone (1988) (27)
- Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on au(111). (2014) (27)
- Hole, electron and energy transfer through bridged systems. VIII: Soliton molecular switching in symmetry-broken brooker (polymethinecyanine) cations (1993) (27)
- Single molecule conductivity: the role of junction-orbital degeneracy in the artificially high currents predicted by ab initio approaches. (2004) (26)
- The Green's function density functional tight-binding (gDFTB) method for molecular electronic conduction. (2007) (26)
- Medium effects on molecular and ionic electronic spectra. Application to the lowest 1(n, π*) state of dilute pyridine in water (1993) (26)
- Towards a comprehensive model for the electronic and vibrational structure of the Creutz–Taube ion (2008) (26)
- Spectroscopic evidence for electronically forbidden but vibronically allowed long-range electron transfer in norbornylog-bridged naphthalene-diacyanoethylene systems (1990) (25)
- Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy. (2015) (25)
- STRETCHED MOLECULAR HYDROGEN COMPLEXES OF OSMIUM(II) : A QUANTUM CHEMICAL STUDY OF THE INFLUENCE OF THE TRANS LIGAND ON GEOMETRIES, SPIN-SPIN COUPLING CONSTANTS, BONDING, AND CHARGE DISTRIBUTIONS (1994) (24)
- Hamiltonian operators including both symmetric and antisymmetric vibrational modes for vibronic coupling and intervalence charge-transfer applications (2004) (24)
- Overcoming computational uncertainties to reveal chemical sensitivity in single molecule conduction calculations. (2005) (24)
- Solvent Effects on Molecular and Ionic Spectra. VIII. The 1(n,π*) Excited States of Pyridazine in Water (1996) (24)
- Solvent Effects on Molecular and Ionic Spectra. 5. Development of a Method for Simulation of the Liquid Structure and Solvatochromic Shift of Inorganic Complexes such as Pentaaminopyridylruthenium(II) in Water (1995) (23)
- Solvent effects on molecular and ionic spectra. 4. Photochemistry of Fe[sup 2+](H[sub 2]O)[sub 6] in water revisited. Possible mechanisms for the primary absorption process leading to electron ejection (1994) (23)
- Unlinked cluster effects in molecular electronic structure. II. Pair correlations in the molecules HCN and HNC (1978) (23)
- Kinetics of water exchange in the hydration shell of Ni2+ ion at a mercury-solution interface (1964) (22)
- Modeling the bacterial photosynthetic reaction center 3: interpretation of effects of site-directed mutagenesis on the special-pair midpoint potential. (2000) (22)
- Electron and Energy Transfer through Bridged Systems. 9. Toward a Priori Evaluation of the Intermetallic Coupling in Bis-metal Complexes (1999) (22)
- Ab initio quantum chemical studies of electric field gradients in the hydrogen bonded molecular nitrogen-hydrogen fluoride and molecular nitrogen-hydrogen chloride complexes (1985) (21)
- Relationship between H−D Spin−Spin Coupling and Internuclear Distance in Molecular Hydrogen Complexes (1997) (20)
- Ab initio quantum chemical studies of the electronic properties of the hydrogen bonded N2HF, N2HCl, (HCN)2 and NH3HCN complexes (1987) (20)
- H−D Spin−Spin Coupling in Stretched Molecular Hydrogen Complexes of Osmium(II): Density Functional Studies of JHD (1996) (20)
- Solvent Effects on Molecular and Ionic Spectra. 6. Hydrogen Bonding and the Delocalized Nature of the First 1(n,.pi.*) Excited State of Pyrazine (1995) (20)
- A quantum chemical study of the infrared absorption intensities of the isolectronic C3v systems NH3, H3O+ and CH−3 (1986) (20)
- A density matrix approach to double well transfer: effects of asymmetry on the tunneling rate (1979) (20)
- Atomic-Resolution Kinked Structure of an Alkylporphyrin on Highly Ordered Pyrolytic Graphite. (2011) (20)
- Electron Delocalization, Structure and Dynamics in Mixed-Valence Systems (1980) (19)
- Quantum‐mechanical discussion of the gas‐phase formation of quinonedimethide monomers (1953) (19)
- Study of valence-level splitting in a porphin-type π-cation dimer by He(I) photoelectron spectroscopy (1977) (19)
- Magnetic circular dichroism and theoretical studies of the excited states of magnesium phthalocyanine negative ions (1971) (19)
- Electronic spectra of metal corrole anions (1974) (19)
- Hyperfine structure in the electron spin resonance spectra of reduced porphins (1967) (19)
- The ESR spectra of metal phthalocyanine negative ions (1967) (19)
- Cool computing (2003) (18)
- Finite electric field valence-shell calculations of molecular hyperpolarizabilities (1972) (18)
- Models for the structure and electronic transmission of carbon nanotubes covalently linked by a molecular bridge via amide couplings (2007) (18)
- An Azanorbornadiene Anchor For Molecular-Level Construction On Silicon(100) (2004) (18)
- Parameters of Electron-Transfer Kinetics (1982) (18)
- The Need for Quantum-Mechanical Treatment of Capacitance and Related Properties of Nanoelectrodes† (2001) (17)
- Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation (2003) (17)
- Electronic structures of molecules : Raymond Daudel, Pergamon Press, Oxford, 1966, 233 pages, 50s (1967) (17)
- The effect of intermolecular interactions on the electric field gradients in solid ammonia, tetrazole and imidazole (1987) (17)
- A spectroscopic study of Eu(III)/Eu(II) and Sm(III)/Sm(II) solutions in acetonitrile obtained by controlled-potential reduction (1972) (17)
- Long-Range Photoinduced Through-Bond Electron Transfer and Radiative Recombination via Rigid Nonconjugated Bridges: Distance and Solvent Dependence. (1987) (17)
- Theory of unimolecular reactions in one dimension (1978) (17)
- The effect of alkali-metal ion association on the electronic spectra of the mononegative ions of naphthalene and anthracene (1963) (17)
- A priori evaluation of the solvent contribution to the reorganization energy accompanying intramolecular electron transfer: Predicting the nature of the Creutz–Taube ion (2005) (17)
- Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111). (2015) (17)
- Modelling the bacterial photosynthetic reaction center. V. Assignment of the electronic transition observed at 2200 cm−1 in the special-pair radical-cation as a second-highest occupied molecular orbital to highest occupied molecular orbital transition (2003) (17)
- Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model. (2015) (17)
- Crystal-field stabilization and site deformation in crystals and complexes containing transition ions (1958) (16)
- The excited states of biphenylene and its negative and positive ions (1963) (16)
- The role of electrostatics in molecular interactions: prediction of shapes and electronic properties of weakly bound complexes (1986) (16)
- Two-photon fluorescence excitation spectrum of a naphthalene norbornylog: Implications for electron transfer (1990) (16)
- Understanding the Chemisorption of 2-Methyl-2-propanethiol on Au(111) (2007) (16)
- A quantum chemical study of the infrared absorption intensities of the isoelectronic C2v systems H2F+, H2O and NH−2 (1986) (15)
- An analysis of photoionisation cross sections for carbon monoxide and dioxide and nitrous oxide by diffraction theory (1986) (15)
- On a long-range exchange mechanism for energy transfer in rigid bichromophoric molecules (1988) (14)
- A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity. (2015) (14)
- From Chaos to Order: Chain-Length Dependence of the Free Energy of Formation of Meso-tetraalkylporphyrin Self-Assembled Monolayer Polymorphs (2016) (14)
- Comparison of the effects of symmetric versus asymmetric H bonding on 2H and 17O nuclear quadrupole coupling constants: Application to formic acid and the hydrogen diformate anion (1982) (14)
- On the absolute signs of the CH and CN dipole moment derivatives of HCN (1979) (14)
- INDO/S parameters for gold (2002) (14)
- Photoionization cross section of water by an atomic extrapolation method (1979) (14)
- The revised Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not scientifically justified: comment on "Consciousness in the universe: a review of the 'Orch OR' theory" by Hameroff and Penrose. (2014) (14)
- Quantum Chemical Study of the Properties of Molecular Hydrogen Complexes of Osmium(II): A Comparison of Density Functional and Conventional ab Initio Methods (1996) (14)
- Ground-state energies of mono-, di-, tri- and tetranegative ions of porphins and their metal complexes (1966) (13)
- Oscillator strengths in porphyrins (1971) (13)
- Electron transfer via dithiaspiroalkane linkages. Nature of long-range through-bond electronic coupling in disulfoxide radical cations and bis(metal) complexes and implications for the characterization of the sulfoxide bond (1988) (13)
- Calculation of electrostatic interaction energies in physisorption studies of ionic surfaces (1978) (13)
- Hole localization and broken symmetry: a theoretical study of core electron ionization in the Li2 molecule (1987) (13)
- Hole localization and spin coupling in [pi]-mono- and [pi]-dications of [mu]-oxoporphyrin dimers, relevance to structure of oxidized [open quotes]special pair[close quotes] in photosynthetic reaction centers (1993) (12)
- Satellites in the 304 AA photoelectron spectrum of Xe (1977) (12)
- Finite electric field valence shell calculations of polarizability gradients and raman depolarization ratios for diatomic molecules (1972) (12)
- Satellite structure in the atomic UV photoelectron spectra of Zn, Cd, and Hg observed at different wavelengths (1977) (12)
- Molecules in electric fields (1974) (12)
- Sublevel phosphorescence spectra of anthraquinone. I. Site selective sublevel phosphorescence spectra for octane and hexane solutions. . Toshiro Murao and Tohru Azumi 4460 High-Rydberg atomic fragments from electron-impact dissociation of molecules. (1979) (12)
- The influence of spin-forbidden monomer excitations on spin-allowed electron transfer and electron-localized states of mixed-valence and single-valence dimeric systems (1994) (12)
- The ground state inversion potential method: Application to the calculation of photoionization cross sections (1977) (11)
- Near doubling of H-H bond length in the [open quotes]stretched[close quotes] osmium molecular hydrogen complex [Os(NH[sub 3])[sub 4]OAc([eta][sup 2]-H[sub 2])][sup +]: A theoretical study (1993) (11)
- Molecular Electronics: From Basic Chemical Principles to Photosynthesis to Steady-State Through-Molecule Conductivity to Computer Architectures (2004) (11)
- A polarographic investigation of some metal tetradehydrocorrins (1973) (11)
- DIFFRACTION ANALYSIS OF THE PHOTOIONISATION CROSS SECTIONS OF WATER, AMMONIA AND METHANE (1986) (11)
- Calculation of dipole moments of some heterocyclic molecules by the CNDO molecular orbital method (1967) (11)
- Pressure-induced spectral changes for the special-pair radical cation of the bacterial photosynthetic reaction center. (2007) (11)
- Optical and electron spin resonance spectra of cobalt complexes related to vitamin B12 (1974) (10)
- Nature of the special-pair radical cation in bacterial photosynthesis (2000) (10)
- The role of tunnelling in light atom diffusion in metals: A comparison of resonant and non-resonant theoretical approaches (1980) (10)
- Solitons in finite and infinite length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. 3. Relation between predicted soliton charge-density wave structure of odd polyene anions and carbon-13 NMR chemical shifts (1993) (10)
- ELECTRONIC SPECTRA OF TRIS(μ-HALO)BIS(TRIAMMINERUTHENIUM)(2+) IONS: EVIDENCE FOR DELOCALIZED MIXED-VALENCE D3H RUTHENIUM(II, III) GROUND STATES (1985) (10)
- Modeling the adsorption of norbornadiene on the Si(001) surface: The predominance of non-[2+2]-cycloaddition products (2003) (9)
- Current-potential relationships in the reduction of samarium and europium perchlorates in dimethyl-formamide at a dropping mercury electrode (1974) (9)
- On the structure, lattice energy and 14N nuclear quadrupole coupling constant of solid HCN (1988) (9)
- Predicted bond lengths and π-electron distribution in the fully conjugated corrole ring (1969) (9)
- Theoretical study of the N+2 molecular ion (1976) (9)
- Molecular orbital theory (1965) (9)
- Crystal and molecular structure of the mixed-valence ruthenium dimer tris(.mu.-bromo)bis(triammineruthenium)(2+) tetrabromozincate(II), [(NH3)3RuBr3Ru(NH3)3](ZnBr4) (1988) (8)
- The electronic absorption spectrum of benzyl anion (1963) (8)
- Electronic spectra of tris(.mu.-halo)bis(triammineruthenium)(2+) ions: evidence for delocalized mixed-valence D3h ruthenium(II, III) ground states (1984) (8)
- Accurate and computationally efficient third-nearest-neighbor tight-binding model for large graphene fragments (2010) (8)
- Inter-porphyrin coupling: rotation-modulation of inter-ring coupling in a μ-oxo-silicon phthalocyanine dimer (2003) (8)
- Successive Ionization Potentials of Unsaturated Hydrocarbons (1957) (7)
- Semi-empirical SCF MO calculations of the electronic structures of CH3F and CH3F– and their significance for adiabatic electrode processes involving bond-breaking (1968) (7)
- Photoionisation of ethylene and benzene: a theoretical analysis of multicentre diffraction effects (1986) (7)
- Analytic solutions to resonant and non-resonant through-bridge electronic coupling (1996) (7)
- Electrode reactions of the methyl halides (1957) (7)
- Tautomerization of Nucleobase Model Compounds: The 4-Pyridinol and 4(1H)-Pyridinone Monomers and Their Dimers (2000) (6)
- Formalism for Electron Transfer and Energy Transfer in Bridged Systems (1989) (6)
- Functionalization of semiconductor surfaces by organic layers: Concerted cycloaddition versus stepwise free-radical reaction mechanisms (2006) (6)
- The spectroscopy of the low-lying bands in the special-pair radical-cations of photosynthetic reaction centres (1998) (6)
- Comparison of Soliton Geometry and Charge-Density Wave Structure, and Band Gaps, Between Odd Polyene and Symmetrical Polymethine Cyanine (Brooker) Ions and T - Polyacetylene : Scf and Model Hamiltonian Approaches with Implications For Molecular Wires and Switches (1993) (6)
- Frequency-based quantum computers from a Chemist's perspective (2012) (5)
- Crowded molecules and counterintuitive substituent separations: quantum chemical calculations of equilibrium geometries and energies of 1,8-dichloro- and 1,4,5,8-tetrachloronaphthalene and 4,5-dichlorophenanthrene (1991) (5)
- Reduction Potentials and Unsaturation Energy Changes in Electrode Reactions Leading to the Formation of Acridyl Radicals (1952) (5)
- Absorption Spectra of Crystals Containing Transition Metal Ions (2007) (5)
- Flanged nanotube–electrode junctions (2004) (5)
- Adsorption sites of maleic anhydride on Si(1 0 0) revisited: inter- versus intra-row attachment (2004) (5)
- Chemical Control of Tautomerization‐Based Molecular Electronic and Color Switches (1998) (4)
- Towards efficient molecular wires and switches: the Brooker ions. (1995) (4)
- Ions in Solution : R.W. Gurney, reprinted by Dover Publications Inc., New York, 1962, vii + 206 pages, $1.50 (1963) (4)
- Optical and Thermal Electron Transfer in Rigid Difunctional Molecules of Fixed Distance and Orientation. (1987) (4)
- Electronic Spectra of Hydrocarbon Anions (1956) (4)
- 138. The influence of conjugation on the ionization of aromatic amines (1953) (4)
- Bond lengths and location of the inner-ring protons in the corrole molecule (1971) (4)
- Electronic and resonance raman spectroscopic evidence for identification of μ-trihalobis(triammine-ruthenium)(2+) ions as delocalized Ru(II,III) mixed-valence complexes (1984) (4)
- NMR resonance splitting of urea in stretched hydrogels: proton exchange and (1)H/(2)H isotopologues. (2014) (3)
- 484. The unsaturation energies of aroxyl radicals (1953) (3)
- Photoinduced Electron Transfer Through Long Rigid Non-Conjugated Bridges: Theory and Experiment for Model Systems (1987) (3)
- Interference-induced electron- and hole-conduction asymmetry (2011) (3)
- DISSOCIATED WATER ON Si(100): RELATION BETWEEN STM TOPOGRAPH AND ACTUAL GEOMETRY (2004) (3)
- The relationship between partial bond fixation induced by through-bond and/or through-space perturbations in nonplanar benzene derivatives and proton spin-spin coupling constants (1992) (3)
- Thermal and optical electron transfer probabilities in biological systems (1983) (3)
- Polymerization of a Semiquinone Ion (1947) (3)
- Some Historical Notes on Chemical Charge Transfer (1997) (3)
- Structure and relative stabilities of isomers of C2H2N+: an ab initio molecular orbital study (1983) (3)
- Transition Metal Chemistry, Vol. 7, Richard L. Carlin (Ed.). Marcel Dekker, New York (1972) (1973) (2)
- Relating transition-state spectroscopy to standard chemical spectroscopic processes (2017) (2)
- Simulations of Inelastic Tunnelling in Molecular Bridges (2006) (2)
- Ligand Exchange Reactions in Molecular Hydrogen Complexes of Osmium(II): A Quantum Chemical Study Using Density Functional Theory (1996) (2)
- Protonation-induced paramagnetism. Structures and stabilities of six- and seven-coordinate complexes of Os(II) in singlet and triplet states: a density functional study. (2001) (2)
- The Primary Process in Photooxidation of Fe2+(H2O)6in Water (1998) (2)
- Analysis of photoionisation cross sections of molecular fluorine and chlorine, and hydrogen chloride by a pseudo-atomic diffraction theory: interference enhancement and its dependence on orbital type (1986) (2)
- Electron tunnelling in chemistry: chemical reactions over large distances: R.G. Compton (Editor). Comprehensive Chemical Kinetics, Vol. 30. Elsevier, Amsterdam, 1989, ISBN 0-444-41631-5 (series), 0-444-87364-3 (Vol. 30), xiv + 360 pp., US $185.25/Dfl.380.00 (1991) (2)
- A multiscale simulation technique for molecular electronics: design of a directed self-assembled molecular n-bit shift register memory device (2013) (1)
- David Parker Craig AO FAA. 23 December 1919—1 July 2015 (2018) (1)
- David Parker Craig 1919–2015 (2017) (1)
- Diabatic models with transferrable parameters for generalized chemical reactions (2017) (1)
- Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li2. (2019) (1)
- Orbital interactions. Part 13. The observation of through-bond orbital interactions between benzene and double bonds in some dimethanoanthracenes (1986) (1)
- A GENERAL THEORETICAL APPROACH TO TUNNELING TRANSFER AND DISSOCIATION (1979) (1)
- Structure and Bonding in Molecular Hydrogen Complexes of Osmium(II) (1997) (1)
- The critical role of the transition-state cusp diameter in understanding adiabatic and non-adiabatic electron transfer (2017) (1)
- Solvolytic displacement reactions : Andrew Streitwieser, Jr., McGraw-Hill Series in Advanced Chemistry, McGraw-Hill, London, 1962, pp. ix + 214. 39S. (1963) (1)
- The Nature of the Special‐pair Radical Cation Produced by Primary Charge Separation During Photosynthesis (2006) (0)
- S 7-020 Properties of M 197 , M 160 , M 202 , L 131 , and L 166 mutants from QM / MM optimized structures of Rhodobacter Sphaeroides (2001) (0)
- Inorganic reaction mechanisms : John O. Edwards, W.A. Benjamin Inc., New York. 189 + xii pages, $7.70, 1964 (1966) (0)
- A study of the reduced species of cobalt and nickel complexes analogous to vitamin B 12 . (1972) (0)
- Dielectric relaxation by Vera V. Daniel, Academic Press, London and New York, xiv + 281 pages, 1967, 75 s. (1969) (0)
- Unifying ENDOR, electrochemical, and FTIR spectroscopic results for the Special-Pair radical cation in bacterial photosynthesis (2001) (0)
- Transition metal chemistry, vol. 7 edited by Richard L. Carlin, Marcel Dekker, New York, 1972, ix + 361 pages, $19.75. (1973) (0)
- Application of DFTB in molecular electronics (2006) (0)
- Supplementary material from "David Parker Craig AO FAA. 23 December 1919 — 1 July 2015" (2017) (0)
- The primary process in protooxidiation of Fe{sup 2+} in water (1995) (0)
- The Au-S bond and SAM-protein contact in long-range electron transfer of pure and biomimetic metalloproteins via functionalized alkanethiol linkers (2016) (0)
- Report on the General Discussion on Future Trends: Theoretical Aspects (1987) (0)
- Principles of mass spectrometry and negative ions by Charles E. Melton, Marcel Dekker, New York, 1970, ix + 313 pages, $ 17.75; £ 8.40. (1972) (0)
- Electron-Vibration Quantum Entanglement in Chemical Bonding (2011) (0)
- A Glimpse of the Evolution of Adiabaticity (2017) (0)
- Crystal and Molecular Structure of the Mixed-Valence Ruthenium Dimer Tris(μ-bromo)bis(triammineruthenium)(2+) Tetrabromozincate(II), ((NH3)3RuBr3Ru(NH3)3)(ZnBr4). (1988) (0)
- Molecular Design Principles for Linearly Scalable, Frequency-Based, Universal Quantum Computers (2011) (0)
- Magnetic susceptibility : L.N. Mulay, Interscience Publishers Inc., New York, 1966, 123 pages, 23s (1967) (0)
- Sir Bruce Williams: A Thirst to Know, and a Reverence for Truth (2010) (0)
- Single-molecule conductivity of non-redox and redox molecules at pure and gold-mined Au(111)-electrode surfaces (2011) (0)
- CRYSTAL STRUCTURE OF μ-PYRAZINE-BIS(PENTA-AMMINERUTHENIUM) PENTA(BROMIDE CHLORIDE)-WATER (1 4) (1977) (0)
- The use of electronically‐switched microelectrodes in the study of oxidation‐reduction processes (1957) (0)
- Soliton, charge‐density wave structure and band gaps in odd polyene and symmetrical polymethinecyanine (Brooker) ions and in t‐polyacetylene: Implications for molecular electronics (2008) (0)
- Phenate ion and the Fe3+PhO− ion-pair complex (2010) (0)
- The Au-S bond in biomolecular adsorption and electrochemical electron transfer (2017) (0)
- MAGNETIC CIRCULAR DICHROISM SPECTRA AND LCAO-SCF-CI CALCULATIONS FOR MAGNESIUM PHTHALOCYANINE NEGATIVE IONS. (1969) (0)
- Book reviewDielectric Relaxation, Vera V. Daniel, Academic Press, London and New York (1967), xiv+281 pages 75 s (1969) (0)
- Electron transfer, biological phonon condensates, and the "Quantum Consciousness" hypothesis (2013) (0)
- The Stability of Semiquinones (1952) (0)
- PNAS Plus Significance Statements (2015) (0)
- Symmetry Breaking, Delocalization and Dynamics in Electron Transfer Systems (2008) (0)
- ELECTRONIC AND RESONANCE RAMAN SPECTROSCOPIC EVIDENCE FOR IDENTIFICATION OF μ-TRIHALOBIS(TRIAMMINERUTHENIUM)(2+) IONS AS DELOCALIZED RUTHENIUM(II, III) MIXED-VALENCE COMPLEXES (1985) (0)
This paper list is powered by the following services:
Other Resources About Noel Hush
What Schools Are Affiliated With Noel Hush?
Noel Hush is affiliated with the following schools:
