Michael Zerner

Q: What Schools Are Affiliated With Michael Zerner

Michael Zerner is affiliated with the following schools: Technical University of Munich, Harvard University, York University, National University of Quilmes, National University of La Plata, University of California, Berkeley, University of Tartu, University of Florida, University of Guelph, Stanford University

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Michael Zerner

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Michael Zerner's Degrees

PhD Physics Stanford University

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According to Wikipedia, Michael Charles Zerner was an American theoretical chemist, professor at the University of Guelph from 1970 to 1981 and University of Florida from 1981 to 2000. Zerner earned his Ph.D. under Martin Gouterman at Harvard, working with the spectroscopy of porphyrins. He conceived and wrote a quantum chemistry program, known as BIGSPEC or ZINDO, for calculating electronic spectra of big molecules. In 1996 Zerner was diagnosed with liver cancer, and died on February 2, 2000, survived by his wife and two children.

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Michael Zerner'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

An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines (1973) (1305)
An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene (1980) (855)
A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries (1985) (571)
An intermediate neglect of differential overlap theory for transition metal complexes: Fe, Co and Cu chlorides (1979) (499)
Triplet states via intermediate neglect of differential overlap: Benzene, pyridine and the diazines (1976) (447)
Porphyrins: IV. Extended Hckel calculations on transition metal complexes (1966) (337)
Porphyrins: VIII. Extended Hckel calculations on iron complexes (1966) (335)
Calculated spectra of hydrated ions of the first transition-metal series (1986) (295)
The Challenge of d and f electrons : theory and computation (1989) (285)
Molecular Dimensions for Adsorptives (1998) (263)
A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis (1991) (249)
Theoretical treatment of solvent effects on electronic spectroscopy (1992) (232)
Semiempirical Molecular Orbital Methods (2007) (178)
A generalized restricted open-shell Fock operator (1987) (140)
A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzene (2000) (125)
SOLVENT EFFECT ON THE FIRST HYPERPOLARIZABILITIES OF CONJUGATED ORGANIC MOLECULES (1994) (106)
Optical spectra of transition-metal carbonyls: chromium hexacarbonyl, iron pentacarbonyl, and nickel tetracarbonyl (1989) (106)
Quantitative predictions of tautomeric equilibria for 2-, 3-, and 4-substituted pyridines in both the gas phase and aqueous solution: combination of AM1 with reaction field theory (1989) (106)
An intermediate neglect of differential overlap model for second-row transition metal species (1991) (105)
Electronic spectra of cis- and trans-azobenzenes: consequences of ortho substitution (1985) (104)
Reconsideration of solvent effects calculated by semiempirical quantum chemical methods (1993) (99)
Electronic Excitations in Aggregates of Bacteriochlorophylls (1998) (99)
Electrochromic effects of charge separation in bacterial photosynthesis: theoretical models (1987) (87)
An approximate Hessian for molecular geometry optimization (1986) (86)
On the low-lying states and electronic spectroscopy of iron(II) porphine. (1986) (79)
Utility of the semiempirical INDO/1 method for the calculation of the geometries of second-row transition-metal species (1990) (78)
ON THE N-PI BLUE SHIFT ACCOMPANYING SOLVATION (1990) (75)
A theoretical examination of the electronic structure and excited states of the Bacteriochlorophyll b dimer from Rhodopseudomonas viridis (1991) (73)
CALCULATION OF DISPERSION ENERGY SHIFTS IN MOLECULAR ELECTRONIC SPECTRA (1994) (71)
Binuclear 1,2,4,5-tetraimino-3,6-diketocyclohexane bis[bis(bipyridine)ruthenium(II)] redox series. (2000) (69)
Intermediate neglect of differential overlap spectroscopic studies on lanthanide complexes (1992) (68)
An intermediate neglect of differential overlap (INDO) technique for lanthanide complexes: studies on lanthanide halides (1987) (67)
The linked singles and doubles model: An approximate theory of electron correlation based on the coupled‐cluster ansatz (1982) (67)
Electronic spectra and structure of bis(ethylene-1,2-dithiolato)nickel and bis-(propene-3-thione-1-thiolato)nickel (1982) (61)
Removal of core orbitals in ‘valence orbital only’ calculations (1972) (59)
A quantitative assessment of the merostabilization energy of carbon-centered radicals (1986) (59)
Porphyrins. V. Extended Hückel Calculations on Vanadyl (VO2+) and Vanadium(II) Complexes (1966) (58)
Nonlinear optical characteristics of novel inorganic chromophores using the Zindo formalism (1991) (58)
A Method for Characterizing Effective Pore Sizes of Catalysts (1999) (58)
Applications of the random phase approximation with the INDO/S Hamiltonian: UVVIS spectra of free base porphin (1990) (56)
Investigation of the electronic structure and spectroscopy of Jahn—Teller distorted C+60 (1992) (55)
Effect of Height on the Competitive Ability of Wheat with Oats (2008) (53)
Metal-ligand exchange coupling in transition-metal complexes (1991) (53)
Multicavity reaction field method for the solvent effect description in flexible molecular systems (1993) (49)
The calculated spectra of the azanaphthalenes (1974) (45)
Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution (2000) (44)
A dynamical damping scheme for converging molecular scf calculations (1979) (44)
OUTER-SPHERE CHARGE-TRANSFER EFFECTS ON THE SPECTROSCOPY OF THE RU(NH3)5(PY)2+ COMPLEX (1995) (44)
Reaction field effects on the electronic structure of carbon radical and ionic centers (1990) (44)
Quantum-chemical investigation of Buckminsterfullerene and related carbon clusters (I): The electronic structure and UV spectra of Buckminsterfullerene, and other C60 cages† (1990) (43)
Hexaamminecobalt electron-self-exchange reaction (1986) (43)
Reaction field effects on the electron distribution and chemical reactivity of molecules (1986) (42)
M. O. calculations applicable to condensed phases: The combination of self-consistent reaction field theory with semi-empirical quantum-chemical methods (1989) (40)
Crystal field and molecular orbital calculation of the optical transitions in Ce doped alkaline earth sulfide (MgS, CaS, SrS, and BaS) phosphors (1998) (40)
Electronic structure of bacteriochlorophyll dimers. 1. Bacteriochlorin models (1990) (39)
Determination of one‐centre core integrals from the average energies of atomic configurations (1973) (39)
DEVELOPMENT OF A HYBRID QUANTUM CHEMICAL AND MOLECULAR MECHANICS METHOD WITH APPLICATION TO SOLVENT EFFECTS ON THE ELECTRONIC SPECTRA OF URACIL AND UR ACIL DERIVATIVES (1997) (38)
Calculated Structures and Electronic Absorption Spectroscopy for Magnesium Phthalocyanine and Its Anion Radical (1995) (37)
A theoretical treatment of solvent effects on the tautomeric equilibria of five-membered rings with two heteroatoms (1990) (36)
The reaction C3H3+ + acetylene and the structural isomers of C5H5+ (1989) (35)
Interplay between Geometric and Electronic Structure and the Magnetism of Small Pd Clusters (1994) (35)
Electronic structure and spectroscopy of the five most stable isomers of C78 fullerene (1995) (35)
A survey of optimization procedures for stable structures and transition states (1988) (33)
A Theoretical Model for the Active Site of Nitrogenase (1996) (32)
An intermediate neglect of differential overlap technique for actinide compounds (1994) (31)
Structure and properties of C3H3+ cations (1989) (31)
On the red shift of the bacteriochlorophyll-b dimer spectra (1988) (31)
STUDIES ON THE HYDROGENATION STEPS OF THE NITROGEN MOLECULE AT THE AZOTOBACTER VINELANDII NITROGENASE SITE (1998) (30)
Effect of a polarizable medium on the charge-transfer states of the photosynthetic reaction center from Rhodopseudomonas viridis (1990) (30)
Theoretical interpretation of the absorption and ionization spectra of the paracyclophanes (1990) (30)
Solvent effects on the electronic spectrum of Reichardt's dye (1994) (29)
A configuration-averaged Hartree-Fock procedure (1989) (29)
Electronic structure and spectra of various spin states of (porphinato)iron(III) chloride (1988) (29)
Conformational analysis of the anhydrotetracycline molecule: a toxic decomposition product of tetracycline. (1998) (29)
A Theoretical Examination of the Solvent Dependence of the Metal-to-Ligand Charge-Transfer Band in Amino Ruthenium Complexes (1999) (28)
CALCULATION OF THE ABSORPTION SPECTRUM OF BENZENE IN CONDENSED PHASE. A STUDY OF THE SOLVENT EFFECTS (1997) (28)
Spectroscopic investigation of the Al(III)-anhydrotetracycline complexation process ☆ (2000) (27)
Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. IV. Geometry and device properties of P3CNQ and Q3CNQ (1995) (27)
Q-band splitting and relaxation of aluminum phthalocyanine tetrasulfonate (1999) (26)
Newton Based Optimization Methods for Obtaining Molecular Conformation (1989) (26)
Electronic structure of model chlorophyll systems (1983) (25)
Quantum chemical calculations on buckminsterfullerene and related structures. II. The electronic structure and spectra of some Cn and CnCa2+ cages (1991) (24)
Calculated optical spectrum of model oxyheme complex (1980) (24)
The stereochemistry of styrene-maleic anhydride copolymers: 13C-NMR study and PVCILO and INDO/1 calculations (1989) (24)
Photorearrangement of azoxybenzene to 2-hydroxyazobenzene. Evidence for electrophilic substitution by oxygen (1977) (24)
Broken orbital symmetry study of low-lying excited and N15 ionized states of pyrazine (1979) (23)
Calculation of molecular polarizabilities for large systems within the random phase approximation (1987) (23)
Calculation of molecular electrostatic potentials within the indo framework (1985) (22)
Theoretical study of ipso attack in aromatic nitration (1986) (22)
Calculation of molecular electrostatic potentials within the indo framework (1985) (22)
Hyperpolarizability determined from the intermediate neglect of differential overlap model (1991) (22)
Calculations on the electronic structure and spectroscopy of C60 and C70 cage structures (1991) (22)
Extension of the Neglect of Diatomic Differential Overlap Method to Spectroscopy. NDDO-G Parametrization and Results for Organic Molecules (1999) (22)
Theoretical studies on the structure and electronic spectra of some isomeric fullerene derivatives C60On (n=2, 3) (2000) (21)
On the reduced and oxidized forms of the FeMo- cofactor of Azotobacter vinelandii nitrogenase (1997) (21)
Studies on CO bonding to Rh clusters using an intermediate neglect of differential overlap theory to model heterogeneous catalytic reactions (1992) (21)
On the excited states ofp-quinones and an interpretation of the photocycloaddition ofp-quinones to alkenes (1977) (20)
A spin-orbit interaction enhanced INDO/S-CI technique: applications to main group and transition metal heteronuclear diatomic molecules (1989) (20)
A theoretical study of the interaction of anhydrotetracycline with Al(III). (1998) (20)
Simple molecular orbital treatment of diatomic force constants (1978) (20)
Method of calculating band shape for molecular electronic spectra (1998) (20)
Characterization of the random phase approximation with the intermediate neglect of differential overlap Hamiltonian for electronic spectroscopy (1991) (20)
The G-factor anistropy of plant chlorophyll a{sup +}. (2000) (20)
Porphyrins: X. Extended Hckel calculations on alkaline earth complexes (1967) (20)
Localized bond model for molecular energy to fourth order in perturbation theory (1982) (19)
Magneto-infrared spectra of matrix-isolated NiH and NiH2 molecules and theoretical calculations of the lowest electronic states of NiH2 (1997) (19)
New parametrization scheme for the resonance integrals (H??) within the INDO/1 approximation. Main group elements (2001) (19)
STRUCTURAL, ELECTRONIC, AND MAGNETIC PROPERTIES OF SMALL NI CLUSTERS (1996) (18)
A theoretical study of the electronic structure and spectra of metalloporphine cations (1985) (18)
Push–pull dyes containing malononitrile dimer as acceptor: synthesis, spectroscopy and quantum chemical calculations (2001) (18)
Studies of the electronic structure of copper fluorides and copper chlorides (1980) (18)
Spin-averaged Hartree-Fock procedure for spectroscopic calculations: The absorption spectrum of Mn2+ in ZnS crystals (1997) (18)
Theoretical study of the chromium-chromium quadruple bond (1982) (18)
An approximate molecular orbital method (1975) (17)
On the Jahn–Teller effect on Mn2+ in zinc‐blende ZnS crystal (1995) (17)
The emission spectum of p-N,N-dimethylaminobenzonitrile (1994) (17)
Searching for transition states: The line–then–plane (LTP) approach (1995) (16)
The calculation of dynamic molecular polarizability (1989) (16)
Investigating the structural and electronic properties of nitrile hydratase model iron(III) complexes using projected unrestricted Hartree-Fock (PUHF) calculations. (2001) (16)
A Theoretical Treatment of the Absorption and Emission Properties of Cu(II) Porphyrin (1995) (16)
Theoretical investigation of the heterofullerenes C59N and C69N and their dimers (2000) (16)
Theoretical study on the electronic spectra of model compound II complexes of peroxidases (1991) (16)
Theoretical predictions of the structures and electronic spectra of C60NH 2+ with comparisons with the isoelectronic molecules C60O and C60CH2 (1995) (16)
A constant denominator perturbation theory for molecular energy (1982) (16)
An INDO/S-CI treatment including spin-orbit interaction based on Rumer spin functions. Application to the hydrated cerium ion (1991) (16)
Projected Unrestricted Hartree-Fock Calculations within the Intermediate Neglect of Differential Overlap Model (1999) (15)
Vibrational and electronic spectra of matrix‐isolated para‐dichlorobenzene radical cations (1992) (15)
AM1, PM3, AND MNDO CALCULATIONS OF RADICAL FORMATION ENERGIES IN THE GAS PHASE AND IN SOLUTION (1991) (15)
On the electronic excited states of model chlorophyll (1982) (14)
Porphyrins. VI. Extended Hückel Calculations on the Scandium Complex (1966) (14)
Spin−Orbit Coupling in Organic Molecules: A Semiempirical Configuration Interaction Approach toward Triplet State Reactivity (1996) (14)
Calculation of the electron affinities of the chromophores involved in photosynthesis (1996) (14)
Calculating ESR G tensors of doublet radicals by the semiempirical INDO/S method (1999) (14)
Structures of C5H3 (1990) (13)
Theoretical interpretation of the reactivity of highly dispersed Rh catalysts toward Co adsorption (1993) (13)
Intermediate Neglect of Differential Overlap Calculations on the Electronic Spectra of Transition Metal Complexes (1996) (13)
An examination of the electronic structure and spectroscopy of high‐ and low‐spin model ferredoxin via several SCF and CI techniques (1997) (13)
GEOMETRY OPTIMISATION AT THE SEMIEMPIRICAL SELF-CONSISTENT-REACTION-FIELD LEVEL USING THE AMPAC AND MOPAC PROGRAMS (1991) (12)
Ab initio electronic structure calculations of the C2H5B potential energy surface: The stability of borirane (1986) (12)
Icosahedral Symmetry and Magnetic Properties of Small Nickel Metal Clusters (1994) (12)
Electronic structure of donor-spacer-acceptor molecules of potential interest for molecular electronics. III. Geometry and absorption spectrum of CH3-αP3CNQ (1995) (12)
Theoretical studies of the absorption spectra of polycyclic aromatic hydrocarbons (1991) (12)
Electronic and geometric characteristics of precrystalline structures in highly dispersed Rh catalysts (1993) (12)
UV-visible spectra of some nitro-substituted porphyrins (1995) (11)
Is there a bridging ligand in metal-substituted zinc β-lactamases? A spectroscopic and theoretical answer (2002) (11)
Projected Unrestricted Hartree-Fock Calculations and the Magnetism of Large Nickel Clusters (2000) (11)
Calculation of 13C‐NMR chemical shift using the intermediate neglect of differential overlap model (1992) (11)
A THEORETICAL INVESTIGATION OF THE NEAR UV AND VIS ELECTRONIC SPECTRA FOR THE FULLY DEPROTONATED FORMS OF ANHYDROTETRACYCLINE (1997) (11)
Calculated spectra of benzaldehyde and benzoic acid (1979) (10)
Charge-dependent Hamiltonian for first- and second-row atomic properties (1990) (10)
Cr ? Cr Multiple bonding in binuclear complexes (1983) (10)
Nonlinear Optical Properties of Dicyanomethylene-Derived Heteroaromatic Dyes: Semiempirical Molecular Orbital Calculations and Experimental Investigations (2000) (10)
Comparison of theoretical models of solvation (1996) (9)
On the inter-ring separation of the lowest excited and ionized states of [2.2]paracyclophane (1989) (9)
The electronic structure and spectroscopy of V2 (2000) (9)
A comparative semi-empirical study of pyrrole and phosphole oligomers (1994) (9)
QUANTUM MECHANICS AND MOLECULAR MECHANICS STUDIES OF THE LOW-ENERGY CONFORMATIONS OF 9-CROWN-3 (1997) (9)
Determination of the Ce+3 bonding in the Ca0.5Sr0.5Ga2S4:Ce phosphor via x-ray photoelectron spectroscopy (1999) (9)
CALCULATIONS ON THE ELECTRONIC STRUCTURE AND UV-VISIBLE SPECTRUM OF OXYHEMOCYANIN (1999) (9)
A comparison of theoretical models for interpreting the photoelectron spectrum of borazine (1982) (9)
Theoretical investigation of the electronic and structural properties of pentagonal-bipyramidal complexes. 1. Diaqua(2,6-diacetylpyridine)bis(semicarbazone))iron(II) (1992) (9)
A diagrammatic construction of a Rayleigh–Schrödinger multiple perturbation theory (1985) (8)
Theoretical near UV and VIS electronic spectra for the ZnII–anhydrotetracycline complex (1998) (8)
Theoretical studies of some new Anti-Malarial drugs (1991) (8)
Perspective on “New developments in molecular orbital theory” (2000) (7)
Ground state characteristics and optical spectra of Ce and Eu bis(octaethylporphyrinate) double deckers (1995) (7)
A possible mechanism of molecular recognition for the reverse transcriptase of HIV‐1 (1992) (7)
Annotationes et Errata (1966) (7)
Calculations of the absorption and emission spectra of p-N,N-dimethylaminobenzonitrile and analogues in solution (1995) (7)
The three‐center bond model for molecular electronic structure (1984) (7)
Theoretical study of the Jahn-Teller effect on the spectroscopy of VCl4 (1996) (7)
Multicavity SCRF calculation of ion hydration energies (1994) (7)
Kinetic modeling of the reactions of C3H3+ with acetylene, deuteroacetylene, and diacetylene (1990) (7)
Electronic causes of dissymmetry in side-on-bonded dioxygen complexes (1988) (6)
FORMATION OF OLEFINS UPON OXIDATION OF MOLYBDENUM ALKYL CARBYNES. ORGANIC RADICAL REACTIVITY IN AN ORGANOMETALLIC RADICAL CATION (1995) (6)
Study of Radical Merostabilization by Electrospray FTICR/MS (1996) (6)
The geometry of hexahydridotitanate(2 (1988) (6)
An approximate variational perturbation method (1975) (6)
Theoretical studies of metal complexes of anhydrotetracycline: interaction with ZnII (1998) (6)
Semiempirical SCF/CI Modeling of Ce + 3 4f and 5d Energy Levels in Oxygen–Doped SrS:Ce (2000) (6)
A charge-iterative Hamiltonian for molecular electronic spectra (1991) (6)
Ground state isoconfigurational mixing in the V2, VNb, and Nb2 molecules (2000) (6)
Electronic Spectra of cis- and trans-Azobenzenes: Consequences of Ortho Substitution. (1986) (6)
Calculated electronic spectra of model ferric cytochrome P450 complexes (1986) (6)
Optical Spectra of Transition-Metal Carbonyls: Cr(CO)6, Fe(CO)5, and Ni(CO)4. (1990) (6)
Theoretical Models of Electrochromic and Environmental Effects on Bacterio-Chlorophylls and -Pheophytins in Reaction Centers (1988) (5)
Acyl derivatives of cyclic secondary amines. Part 1. Dipole stabilization of anions: the cumulative effect of two stabilizing groups (1987) (5)
On the implications of the structure of 3′-azido-3′-deoxythymidine and related compounds to antiviral activity (1992) (5)
Electric multipole moment integrals evaluated over slater‐type orbitals (1993) (5)
Molecular structure and vibrational spectra of dithionite ion by ab initio calculations (1989) (5)
On the parametrisation of semi-empirical methods for ionic crystals (1982) (5)
Experimental, Structural and Theoretical Models of Bacteriochlorophylls a, d and g (1985) (5)
An integral-partitioned multiple perturbation theory: calculations on boron hydrides (1986) (4)
Suggestions for Directed Engineering of Reaction Centers: Metal, Substituent and Charge Modifications (1992) (4)
Implementation of the IPPP–CLOPPA–INDO/S method for the study of indirect nuclear spin coupling constants and its application to molecules containing tin nuclei (2000) (4)
A diagrammatic construction of the direct configuration interaction method (1982) (4)
Electronic Structure Theory for Transition Metal Systems: A Survey (1992) (4)
Effect of grain size on the competitive ability of wheat. (2006) (4)
APPROXIMATE QUANTUM MECHANICAL METHODS FOR LARGE MOLECULES (1981) (4)
Generalized symmetry‐adapted interpolation procedure for finding transition states in internal rotations (1999) (4)
Toward an ionic mechanism of soot particle formation: Reactions between acetylene and tautomeric forms of the C3H3+ ions (1988) (4)
Introduction to a paper symposium on “the role of Quantum Chemistry as a foundation for the principles of chemistry” (1994) (3)
Matrix elements of spin-dependent one-electron operators between bonded functions (2009) (3)
Approximate Methods in Quantum Chemistry (1973) (3)
Quantum chemistry throughout the periodic table (1989) (3)
Quantum Systems in Chemistry and Physics Part II (1999) (3)
An approximate treatment of Kα X-ray emission chemical shifts in sulfur-containing molecules and ions (1990) (3)
Acyl derivatives of cyclic secondary amines. Part 2. Dynamic 1H and 13C nuclear magnetic resonance studies on bis- and tris-amides: equilibria of syn-anti interconversion (1987) (3)
An examination of perturbation–variational theory and scaling at fifth order (1988) (3)
USING THEORETICAL DESCRIPTORS TO MODEL SOLVENT EFFECTS IN THE ISOMERIZATION OF CIS-STILBENE (1996) (2)
Absorption and ionization spectra of model rubredoxins (1995) (2)
Inner-shell Eigenvalues from valence orbital only calculations (1975) (2)
International Journal of Quantum Chemistry. Quantum Chemistry Symposium Number 27: Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods Held in St. Augustine, Florida on 13-20 March 1993 (1993) (2)
DV-Xα for atomic spectroscopy and materials science (2001) (2)
Semiempirical antisymmetrized geminal power calculation for molecular spectra (1984) (2)
INDO calculations of small copper clusters and CO adsorbed on copper(100) surfaces (2000) (2)
A Theoretical Study of the [Fe2(μ – S2)(P(o – C6H4S)3)2]2– Electronic Spectrum (1999) (1)
Breeding for improvement in weed competitive ability in bread wheat. (2008) (1)
AN INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP TECHNIQUE FOR SPECTROSCOPY, PYRROL AND THE AZINES (1974) (1)
Perturbation-variational methods revisited (1993) (1)
Density functional theory (1999) (1)
NOTE ON THE GROWTH RATE OF CONVECTIVE MODES IN A SELF GRAVITATING GAS SPHERE. (1972) (1)
Fourth‐order constant denominator perturbation theory (2009) (1)
Electrochromic Effects of Charge Separation in Bacterial Photosynthesis: Theoretical Models. (1987) (1)
On the inversion of the classical second virial coefficient (1976) (1)
The collocation variational method for solving Fredholm integral equations and an application to potential scattering (1977) (1)
Semiempirical Self-Consistent Field Modeling of the Ce +3 4f AND 5d Energy Levels in Solid State Luminescent Materials (1999) (1)
Vibrational and Electronic Spectra of Matrix-Isolated para- Dichlorobenzene Radical Cations. (1992) (1)
Spin coupling in Cu porphyrin π-cation radicals (1989) (1)
Electronic Structure of Clusters (1997) (1)
Quantum biology and quantum pharmacology: proceedings (1986) (1)
A theoretical analysis of photoaddition reactions of hydroxylazoaromatic compounds and the related thione analogs with olefins (1987) (1)
Fourier transform ion cyclotron resonance mass spectrometry and theoretical studies of gas phase SN2 nucleophilic substitution reactions at sp3-carbon atoms (1998) (1)
Introduction: Klaus Rüdenberg (2000) (1)
On the calculation of oscillator strength for electronic transitions using “effective core” methods (1992) (1)
Newton Based Optimization Procedures for Searching Potential Energy Surfaces (1986) (1)
Localized bond (PVCILO) calculations on the cyanoethylenes-methyl vinyl ether complexes (1992) (1)
The Reaction C3H+ 3 + C2H2 and the Structural Isomers of C5H+ 5. (1989) (1)
Proceedings of the international symposium on quantum biology and quantum pharmacology (1988) (1)
From electronic structure to time-dependent processes : a volume in honor of Giuseppe Del Re (2000) (1)
Modern Trends in Atomic Physics (1998) (1)
Call for contributions to paper symposium on semi‐empirical methods in quantum chemistry and solid‐state theory (1991) (1)
Introduction to paper symposium on semiempirical methods in Quantum Chemistry and solid‐state theory (1992) (1)
Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Computational Methods, held at Marineland, Florida, March 12-19, 1988 (1988) (0)
Structure and Properties of C3H+ 3 Cations (1989) (0)
An application of the method of the Padé approximants to sum the virial series (1975) (0)
The Geometry of (TiH6)2 (1988) (0)
Kinetic Modeling of the Reactions of C3H+ 3 with Acetylene, Deuteroacetylene, and Diacetylene (1991) (0)
Formation of Olefins Upon Oxidation of Molybdenum Alkyl Carbynes. Organic Radical Reactivity in an Organometallic Radical Cation. (1995) (0)
Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, held at Ponce de Leon Resort, St. Augustine, Florida, February 25 - March 4, 1995 (1995) (0)
ADVANCES IN PHOTO-ELECTROLYTIC IMAGING SYSTEMS, (1968) (0)
A novel approach to the calculation of the electronic charge-transfer spectra of model 2-Fe ferredoxins (1996) (0)
Role of Specific Intermolecular Interactions in Modulating Spectroscopic Properties of Photoreactive Compounds Bound to Proteins (1994) (0)
A quantum mechanical investigation into the fine specificity of the antibodies to soman, BE2, and CC1 (1986) (0)
Quantum Chemcial Calculations on the Reaction Center and on the light Harvesting Systems (1998) (0)
Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, held at St. Augustine, Florida, March 14-21, 1992 (1992) (0)
Quantum chemistry, solid-state theory, and computational methods: Proceedings: Quantum chemistry symposium No. 21 (1987) (0)
An investigation into the specificity of soman analogues toward the antibody BE2 using electrostatic potentials (2009) (0)
EXTENDED HUCKEL CALCULATIONS ON TRANSITION METAL PORPHYRINS. (1965) (0)
Proceedings of the international symposium on quantum chemistry, solid-state physics, and computational methods (1990) (0)
Theoretical Study of Ipso Attack in Aromatic Nitration. (1987) (0)
Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, held at Ponte Vedra Beach, Florida, February 12-19, 1994 (1994) (0)
A Quantum Chemical View of the Initial Photochemical Event in Photosynthesis (1996) (0)
International Journal of Quantum Chemistry. Quantum Chemistry Symposium Number 28. Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods Held in Ponte Vedra Beach, Florida on 12-19 February 1994, (1994) (0)
An Intermediate Neglect of Differential Overlap (INDO) Technique for Lanthanoid Complexes: Studies on Lanthanoid Halides (1987) (0)
Proceedings of the international symposium on atomic, molecular and condensed matter theory and computational methods (1992) (0)
Ionic Precursors of Soot - A Combined Experimental-Theoretical Approach (1988) (0)
A comparison of the PVCILO calculated stabilization energies of the DA complexes of N-phenylmaleimide and 4-phenyl-1,2,4-triazoline-3,5-dione with methyl vinyl ether (1995) (0)
Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology : held at Palm Coast, Florida, March 12-5, 1984 (1984) (0)
Proceedings of the International Symposium on atomic, molecular and solid-state theory, scattering problems, many body phenomena, and computational quantum chemistry: Quantum chemistry symposium No. 20 (1986) (0)
Proceedings of the International Symposium on the Application of Fundamental Theory to Problems of Bilogy and Pharmacology, held at St. Augustine, Florida, March 14-21, 1992 (1992) (0)
Red Shift of the Bacteriochlorophyll-b Dimer Spectra (1988) (0)
Proceedings of the International Symposium on Quantum Chemistry, Solid-State Physics, and Computational Methods, held at Augustine, Florida, March 17-24, 1990 (1990) (0)
Computational studies of complexes of 9-crown-3 and trithia-9-crown-3 (1992) (0)
Structures of (C5H3) (1990) (0)
Quantum Chemistry Symposium No. 25: Proceedings (1991) (0)
Conceptual quantum chemistry: Models and applications. Special Subject Issues of Croatica Chemica Acta, Vol. 57, Nos. 5 and 6, pages 765–1674, 1984 Volumes Edited by Zvonimier B. Maksić. (1987) (0)
Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Molecular Dynamics, held at the Ponce de Leon Conference Center, St. Augustine, Florida, April 1-8, 1989 (1988) (0)
Acyl Derivatives of Cyclic Secondary Amines. Part 1. Dipole Stabilization of Anions: The Cumulative Effect of Two Stabilizing Groups. (1988) (0)
Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, held at St. Augustine, Florida, March 13-20, 1993 (1993) (0)
An approximate variational perturbation model for molecular energy (2009) (0)
Hexaamminecobalt Electron-Self-Exchange Reaction (reexamination, using a semiempirical INDO-CI method). (1986) (0)
Quantum Chemistry Symposium No. 26; Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, Held at the Ponce de Leon Conference Center, St. Augustine, FL on 14-21 Mar 1992 (1992) (0)
Semi-empirical approach to extended valence bond theory (1990) (0)
THE CALCULATED SPECTRA OF AZANAPHTHALENES (1974) (0)
Finding Transition States Using the LTP Algorithm (2002) (0)
An Examination of the Configuration Averaged Hartree-Fock Procedure for Model Ferredoxin and Its Electronic Spectroscopy. (1995) (0)
Acyl Derivatives of Cyclic Secondary Amines. Part 2. Dynamic 1H and 13C NMR Studies on Bis- and Tris-amides: Equilibria of syn-anti Interconversion (1988) (0)
Proceedings of the International Symposium on Quantum Biology and Quantum Pharmacology : held at St. Augustine, Florida, March 17-24, 1990 (1990) (0)
Proceedings of the International Symposium on Atomic, Molecular and Solid-State Theory, Scattering Problems, Many Body Phenomena, and Computational Quantum Chemistry Held in Marineland, Florida on March 18-23, 1985 (1985) (0)
Atomic, molecular and solid-state theory, and computational quantum chemistry: proceedings. Part 1 (1984) (0)
Introduction: Theoretical chemistry in biology: From molecular structure to functional mechanisms (1998) (0)
Propagating insight : a tribute to Yngve Öhrn (1999) (0)
Proceedings of the International Symposium on Quantum Chemistry, Solid-State Theory, and Molecular Dynamics : held at St. Augustine, Florida, March 9-16, 1991 (1991) (0)
An efficient method for calculating static polarizabilities from a correlated wave function (1994) (0)
Editorial comments: EDITORIAL COMMENTS (1983) (0)

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