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Quantum Chemical Study of Photoinjection Processes in Dye-Sensitized TiO2 Nanoparticles

The journal of physical chemistry. B, 2000-11, Vol.104 (44), p.10348-10351

2000

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Experimental evidence for sub-3-fs charge transfer from an aromatic adsorbate to a semiconductor

Nature (London), 2002-08, Vol.418 (6898), p.620-623

2002

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Electronic interactions between aromatic adsorbates and metal oxide substrates calculated from first principles

Chemical physics letters, 2002-10, Vol.364 (5), p.469-474

2002

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Adsorption of bi-isonicotinic acid on rutile TiO2(110)

The Journal of chemical physics, 1999-03, Vol.110 (12), p.5913-5918

1999

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XPS studies of Ru-polypyridine complexes for solar cell applications

The Journal of chemical physics, 1999-08, Vol.111 (6), p.2744-2750

1999

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Multireference calculations of the phosphorescence and photodissociation of chlorobenzene

The Journal of chemical physics, 2004-12, Vol.121 (22), p.11000-11006

2004

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Phosphonic acid adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations

Surface science, 2005-05, Vol.582 (1-3), p.49-60

2005

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Isotope effect on the J-T distortion of partially deuteriated benzene cation radicals: An experimental EPR and theoretical DFT study

PCCP. Physical chemistry chemical physics (Print), 2004, Vol.6 (8), p.1658-1665

2004

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Stability of Halogen-Terminated Diamond (111) Surfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1997-01, Vol.101 (1), p.76-82

1997

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Theoretical study of perfect and defective TiO2 crystals

The Journal of physics and chemistry of solids, 1996-09, Vol.57 (9), p.1293-1301

1996

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Electron dynamics within Ru-2,2 ′-bipyridine complexes—an N1s core level excitation study

Chemical physics, 2002-12, Vol.285 (1), p.167-176

2002

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Deuterium Isotope Effects on Rotation of Methyl Hydrogens. A Study of the Dimethyl Ether Radical Cation by ESR Spectroscopy and ab Initio and Density Functional Theory

Journal of the American Chemical Society, 2000-12, Vol.122 (49), p.12281-12288

2000

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Theoretical Study of the Fast Photodissociation Channels of the Monohalobenzenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-03, Vol.108 (12), p.2339-2345

2004

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The Smallest Possible Nanocrystals of Semiionic Oxides

The journal of physical chemistry. B, 2003-04, Vol.107 (15), p.3336-3339

2003

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Li and Na Diffusion in TiO2 from Quantum Chemical Theory versus Electrochemical Experiment

Journal of the American Chemical Society, 1997-08, Vol.119 (31), p.7374-7380

1997

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Adsorption of halogen-containing methane on diamond

Diamond and related materials, 1998, Vol.7 (8), p.1138-1143

1998

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Binding of bi-isonicotinic acid to anatase TiO2 (1 0 1)

Solar energy materials and solar cells, 2000-07, Vol.63 (2), p.139-148

2000

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Structures of the Hexafluorocyclopropane, Octafluorocyclobutane, and Decafluorocyclopentane Radical Anions Probed by Experimental and Computational Studies of Anisotropic Electron Spin Resonance (ESR) Spectra

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-01, Vol.111 (2), p.321-338

2007

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Photochemistry of Bromofluorobenzenes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-06, Vol.110 (22), p.7045-7056

2006

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Structures of Tetrafluorocyclopropene, Hexafluorocyclobutene, Octafluorocyclopentene and Related Perfluoroalkene Radical Anions Revealed by Electron Spin Resonance Spectroscopic and Computational Studies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-05, Vol.110 (19), p.6307-6323

2006

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Bi-isonicotinic acid on rutile (1 1 0): calculated molecular and electronic structure

Surface science, 2003-04, Vol.529 (1), p.47-58

2003

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Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene

Physical chemistry chemical physics : PCCP, 2005-12, Vol.7 (23), p.3938-3942

2005

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Vibrational stabilization of preferred conformations of partially deuterated n-butane cations: comparison of ab initio calculations and electron spin resonance results

Journal of the American Chemical Society, 1991-09, Vol.113 (20), p.7508-7512

1991

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Energy levels of small titanium oxide clusters obtained from SCF calculations

International journal of quantum chemistry, 1994-01, Vol.49 (2), p.97-104

1994

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Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene

The Journal of chemical physics, 2004-04, Vol.120 (14), p.6502-6509

2004

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Quantum Chemical Study of Photoinjection Processes in Dye-Sensitized TiO2 Nanoparticles

Experimental evidence for sub-3-fs charge transfer from an aromatic adsorbate to a semiconductor

Electronic interactions between aromatic adsorbates and metal oxide substrates calculated from first principles

Adsorption of bi-isonicotinic acid on rutile TiO2(110)

XPS studies of Ru-polypyridine complexes for solar cell applications

Multireference calculations of the phosphorescence and photodissociation of chlorobenzene

Phosphonic acid adsorption at the TiO2 anatase (101) surface investigated by periodic hybrid HF-DFT computations

Isotope effect on the J-T distortion of partially deuteriated benzene cation radicals: An experimental EPR and theoretical DFT study

Stability of Halogen-Terminated Diamond (111) Surfaces

Theoretical study of perfect and defective TiO2 crystals

Electron dynamics within Ru-2,2 ′-bipyridine complexes—an N1s core level excitation study

Deuterium Isotope Effects on Rotation of Methyl Hydrogens. A Study of the Dimethyl Ether Radical Cation by ESR Spectroscopy and ab Initio and Density Functional Theory

Theoretical Study of the Fast Photodissociation Channels of the Monohalobenzenes

The Smallest Possible Nanocrystals of Semiionic Oxides

Li and Na Diffusion in TiO2 from Quantum Chemical Theory versus Electrochemical Experiment

Adsorption of halogen-containing methane on diamond

Binding of bi-isonicotinic acid to anatase TiO2 (1 0 1)

Structures of the Hexafluorocyclopropane, Octafluorocyclobutane, and Decafluorocyclopentane Radical Anions Probed by Experimental and Computational Studies of Anisotropic Electron Spin Resonance (ESR) Spectra

Photochemistry of Bromofluorobenzenes

Structures of Tetrafluorocyclopropene, Hexafluorocyclobutene, Octafluorocyclopentene and Related Perfluoroalkene Radical Anions Revealed by Electron Spin Resonance Spectroscopic and Computational Studies

Bi-isonicotinic acid on rutile (1 1 0): calculated molecular and electronic structure

Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene

Vibrational stabilization of preferred conformations of partially deuterated n-butane cations: comparison of ab initio calculations and electron spin resonance results

Energy levels of small titanium oxide clusters obtained from SCF calculations

Photodissociation of bromobenzene, dibromobenzene, and 1,3,5-tribromobenzene

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