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A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

Journal of the American Chemical Society, 1991-10, Vol.113 (22), p.8210-8215

1991

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Molecular Dimensions for Adsorptives

Journal of the American Chemical Society, 1998-06, Vol.120 (22), p.5509-5516

1998

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A Method for Characterizing Effective Pore Sizes of Catalysts

The journal of physical chemistry. B, 1999-02, Vol.103 (8), p.1242-1249

1999

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Effect of Height on the Competitive Ability of Wheat with Oats

Agronomy journal, 2008-11, Vol.100 (6), p.1729-1734

2008

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On the n-.pi. blue shift accompanying solvation

Journal of the American Chemical Society, 1990-12, Vol.112 (25), p.9405-9406

1990

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Calculated spectra of hydrated ions of the first transition-metal series

Inorganic chemistry, , Vol.25 (16), p.2728-2732

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Electronic Excitations in Aggregates of Bacteriochlorophylls

The journal of physical chemistry. B, 1998-09, Vol.102 (39), p.7640-7650

1998

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Calculated Structures and Electronic Absorption Spectroscopy for Magnesium Phthalocyanine and Its Anion Radical

Inorganic chemistry, 1995-05, Vol.34 (11), p.2969-2979

1995

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Binuclear 1,2,4,5-Tetraimino-3,6-diketocyclohexane Bis[bis(Bipyridine)ruthenium(II)] Redox Series

Inorganic chemistry, 2000-01, Vol.39 (1), p.141-152

2000

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Utility of the semiempirical INDO/1 method for the calculation of the geometries of second-row transition-metal species

Inorganic chemistry, 1990-01, Vol.29 (1), p.1-3

1990

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Solvent effect on the first hyperpolarizabilities of conjugated organic molecules

The Journal of chemical physics, 1994-05, Vol.100 (10), p.7487-7494

1994

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Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution

The Journal of chemical physics, 2000-05, Vol.112 (17), p.7293-7299

2000

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Electrochromic effects of charge separation in bacterial photosynthesis: theoretical models

Journal of the American Chemical Society, 1987-07, Vol.109 (15), p.4728-4730

1987

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Theoretical interpretation of the absorption and ionization spectra of the paracyclophanes

Journal of the American Chemical Society, , Vol.112 (6), p.2114-2120

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A Theoretical Model for the Active Site of Nitrogenase

Chemistry : a European journal, 1996-01, Vol.2 (1), p.83-87

1996

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Development of a Hybrid Quantum Chemical and Molecular Mechanics Method with Application to Solvent Effects on the Electronic Spectra of Uracil and Uracil Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-03, Vol.101 (13), p.2478-2488

1997

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A Theoretical Examination of the Solvent Dependence of the Metal-to-Ligand Charge-Transfer Band in Amino Ruthenium Complexes

Journal of the American Chemical Society, 1999-01, Vol.121 (2), p.399-404

1999

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Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

Journal of computational chemistry, 1993-03, Vol.14 (3), p.371-377

1993

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Extension of the Neglect of Diatomic Differential Overlap Method to Spectroscopy. NDDO-G Parametrization and Results for Organic Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-06, Vol.103 (23), p.4553-4559

1999

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Electronic spectra of cis- and trans-azobenzenes: consequences of ortho substitution

Journal of the American Chemical Society, 1985-10, Vol.107 (21), p.5884-5890

1985

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Investigating the Structural and Electronic Properties of Nitrile Hydratase Model Iron(III) Complexes Using Projected Unrestricted Hartree−Fock (PUHF) Calculations

Inorganic chemistry, 2001-04, Vol.40 (8), p.1837-1845

2001

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A quantitative assessment of the merostabilization energy of carbon-centered radicals

Journal of the American Chemical Society, 1986-11, Vol.108 (23), p.7213-7214

1986

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Projected Unrestricted Hartree−Fock Calculations and the Magnetism of Large Nickel Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-01, Vol.104 (2), p.233-242

2000

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Outer-Sphere Charge-Transfer Effects on the Spectroscopy of the [Ru(NH3)5(py)]2+ Complex

Journal of the American Chemical Society, 1995-08, Vol.117 (33), p.8684-8685

1995

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On the red shift of the bacteriochlorophyll-b dimer spectra

Journal of the American Chemical Society, 1988, Vol.110 (2), p.606-607

1988

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A theoretical examination of the electronic structure and spectroscopy of the photosynthetic reaction center from Rhodopseudomonas viridis

Molecular Dimensions for Adsorptives

A Method for Characterizing Effective Pore Sizes of Catalysts

Effect of Height on the Competitive Ability of Wheat with Oats

On the n-.pi. blue shift accompanying solvation

Calculated spectra of hydrated ions of the first transition-metal series

Electronic Excitations in Aggregates of Bacteriochlorophylls

Calculated Structures and Electronic Absorption Spectroscopy for Magnesium Phthalocyanine and Its Anion Radical

Binuclear 1,2,4,5-Tetraimino-3,6-diketocyclohexane Bis[bis(Bipyridine)ruthenium(II)] Redox Series

Utility of the semiempirical INDO/1 method for the calculation of the geometries of second-row transition-metal species

Solvent effect on the first hyperpolarizabilities of conjugated organic molecules

Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solution

Electrochromic effects of charge separation in bacterial photosynthesis: theoretical models

Theoretical interpretation of the absorption and ionization spectra of the paracyclophanes

A Theoretical Model for the Active Site of Nitrogenase

Development of a Hybrid Quantum Chemical and Molecular Mechanics Method with Application to Solvent Effects on the Electronic Spectra of Uracil and Uracil Derivatives

A Theoretical Examination of the Solvent Dependence of the Metal-to-Ligand Charge-Transfer Band in Amino Ruthenium Complexes

Reconsideration of solvent effects calculated by semiempirical quantum chemical methods

Extension of the Neglect of Diatomic Differential Overlap Method to Spectroscopy. NDDO-G Parametrization and Results for Organic Molecules

Electronic spectra of cis- and trans-azobenzenes: consequences of ortho substitution

Investigating the Structural and Electronic Properties of Nitrile Hydratase Model Iron(III) Complexes Using Projected Unrestricted Hartree−Fock (PUHF) Calculations

A quantitative assessment of the merostabilization energy of carbon-centered radicals

Projected Unrestricted Hartree−Fock Calculations and the Magnetism of Large Nickel Clusters

Outer-Sphere Charge-Transfer Effects on the Spectroscopy of the [Ru(NH3)5(py)]2+ Complex

On the red shift of the bacteriochlorophyll-b dimer spectra

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