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Results: 1-17 |
Results: 17
The need for quantum-mechanical treatment of capacitance and related properties of nanoelectrodes
Authors: Reimers, JR Hush, NS
Citation: Jr. Reimers et Ns. Hush, The need for quantum-mechanical treatment of capacitance and related properties of nanoelectrodes, J PHYS CH B, 105(37), 2001, pp. 8979-8988
Modeling the bacterial photosynthetic reaction center. 4. The structural, electrochemical, and hydrogen-bonding properties of 22 mutants of Rhodobacter sphaeroides
Authors: Hughes, JM Hutter, MC Reimers, JR Hush, NS
Citation: Jm. Hughes et al., Modeling the bacterial photosynthetic reaction center. 4. The structural, electrochemical, and hydrogen-bonding properties of 22 mutants of Rhodobacter sphaeroides, J AM CHEM S, 123(35), 2001, pp. 8550-8563
Protonation-induced paramagnetism. Structures and stabilities of six- and seven-coordinate complexes of Os(II) in singlet and triplet states: A density functional study
Authors: Mylvaganam, K Bacskay, GB Hush, NS
Citation: K. Mylvaganam et al., Protonation-induced paramagnetism. Structures and stabilities of six- and seven-coordinate complexes of Os(II) in singlet and triplet states: A density functional study, J AM CHEM S, 123(23), 2001, pp. 5495-5506
Tautomerization of nucleobase model compounds: The 4-pyridinol and 4(1H)-pyridinone monomers and their dimers
Authors: Reimers, JR Hall, LE Hush, NS
Citation: Jr. Reimers et al., Tautomerization of nucleobase model compounds: The 4-pyridinol and 4(1H)-pyridinone monomers and their dimers, J PHYS CH A, 104(21), 2000, pp. 5087-5092
Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires
Authors: Hall, LE Reimers, JR Hush, NS Silverbrook, K
Citation: Le. Hall et al., Formalism, analytical model, and a priori Green's-function-based calculations of the current-voltage characteristics of molecular wires, J CHEM PHYS, 112(3), 2000, pp. 1510-1521
Nature of the special-pair radical cation in bacterial photosynthesis
Authors: Reimers, JR Hutter, MC Hughes, JM Hush, NS
Citation: Jr. Reimers et al., Nature of the special-pair radical cation in bacterial photosynthesis, INT J QUANT, 80(6), 2000, pp. 1224-1243
Solvent effects on the electronic spectra of transition metal complexes
Authors: Hush, NS Reimers, JR
Citation: Ns. Hush et Jr. Reimers, Solvent effects on the electronic spectra of transition metal complexes, CHEM REV, 100(2), 2000, pp. 775-786
Modeling the bacterial photosynthetic reaction center 3: Interpretation ofeffects of site-directed mutagenesis on the special-pair midpoint potential
Authors: Reimers, JR Hughes, JM Hush, NS
Citation: Jr. Reimers et al., Modeling the bacterial photosynthetic reaction center 3: Interpretation ofeffects of site-directed mutagenesis on the special-pair midpoint potential, BIOCHEM, 39(51), 2000, pp. 16185-16189
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
Authors: Mylvaganam, K Bacskay, GB Hush, NS
Citation: K. Mylvaganam et al., 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, J AM CHEM S, 122(9), 2000, pp. 2041-2052
Electron transfer in retrospect and prospect 1: Adiabatic electrode processes (vol 460, p 5, 1999)
Authors: Hush, NS
Citation: Ns. Hush, Electron transfer in retrospect and prospect 1: Adiabatic electrode processes (vol 460, p 5, 1999), J ELEC CHEM, 470(2), 1999, pp. 170-195
Electron transfer in retrospect and prospect 1: Adiabatic electrode processes
Authors: Hush, NS
Citation: Ns. Hush, Electron transfer in retrospect and prospect 1: Adiabatic electrode processes, J ELEC CHEM, 460(1-2), 1999, pp. 5-29
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
Authors: Hutter, MC Hughes, JM Reimers, JR Hush, NS
Citation: Mc. Hutter et al., 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, J PHYS CH B, 103(23), 1999, pp. 4906-4915
Vibrational Stark spectroscopy 3. Accurate benchmark ab initio and densityfunctional calculations for CO and CN-
Authors: Reimers, JR Hush, NS
Citation: Jr. Reimers et Ns. Hush, Vibrational Stark spectroscopy 3. Accurate benchmark ab initio and densityfunctional calculations for CO and CN-, J PHYS CH A, 103(49), 1999, pp. 10580-10587
Rigid fused oligoporphyrins as potential versatile molecular wires. 2. B3LYP and SCF calculated geometric and electronic properties of 98 oligoporphyrin and related molecules
Authors: Reimers, JR Hall, LE Crossley, MJ Hush, NS
Citation: Jr. Reimers et al., Rigid fused oligoporphyrins as potential versatile molecular wires. 2. B3LYP and SCF calculated geometric and electronic properties of 98 oligoporphyrin and related molecules, J PHYS CH A, 103(22), 1999, pp. 4385-4397
Electron and energy transfer through bridged systems. 9. Toward a priori evaluation of the intermetallic coupling in bis-metal complexes
Authors: Reimers, JR Hush, NS
Citation: Jr. Reimers et Ns. Hush, Electron and energy transfer through bridged systems. 9. Toward a priori evaluation of the intermetallic coupling in bis-metal complexes, J PHYS CH A, 103(16), 1999, pp. 3066-3072
Homogeneous conversion of methane to methanol. 1. Catalytic activation andfunctionalization of methane by cis-platin in sulfuric acid: A density functional study of the thermochemistry
Authors: Mylvaganam, K Bacskay, GB Hush, NS
Citation: K. Mylvaganam et al., Homogeneous conversion of methane to methanol. 1. Catalytic activation andfunctionalization of methane by cis-platin in sulfuric acid: A density functional study of the thermochemistry, J AM CHEM S, 121(19), 1999, pp. 4633-4639
Solvent effects on metal to ligand charge transfer excitations
Authors: Hush, NS Reimers, JR
Citation: Ns. Hush et Jr. Reimers, Solvent effects on metal to ligand charge transfer excitations, COORD CH RE, 177, 1998, pp. 37-60
Risultati: 1-17 |