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Quantum nature of the sign preference in ion-induced nucleation

Physical review letters, 2006-03, Vol.96 (12), p.125701-125701, Article 125701

2006

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A Theoretical Study of the Reaction between CH3S(OH)CH3 and O2

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-10, Vol.108 (41), p.8659-8671

2004

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Structures and reaction rates of the gaseous oxidation of SO 2 by an O 3 − (H 2 O) 0-5 cluster – a density functional theory investigation

Atmospheric chemistry and physics, 2012-04, Vol.12 (8), p.3639-3652

2012

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Tuning the dihydroazulene - vinylheptafulvene couple for storage of solar energy

Russian chemical reviews, 2020-05, Vol.89 (5), p.573-586

2020

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Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

Chemical physics letters, 2005-01, Vol.401 (4), p.385-392

2005

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Effect of Molecular Structure and Hydration on the Uptake of Gas-Phase Sulfuric Acid by Charged Clusters/Ultrafine Particles

Aerosol science and technology, 2004-04, Vol.38 (4), p.349-353

2004

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Modeling Absorption and Emission Spectroscopies of Symmetric and Asymmetric Azaoxahelicenes in Vacuum and Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-09, Vol.126 (37), p.6467-6472

2022

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Structures and reaction rates of the gaseous oxidation of SO2 by an O3−(H2O)0-5 cluster - a density functional theory investigation

Atmospheric chemistry and physics, 2012-04, Vol.12 (8), p.3639-3652

2012

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Ab initio studies of O 2 − (H 2 O) n and O 3 − (H 2 O) n anionic molecular clusters, n≤12

Atmospheric chemistry and physics, 2011-07, Vol.11 (14), p.7133-7142

2011

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Ab initio studies of O2−(H2O)n and O3−(H2O)n anionic molecular clusters, n< or =12

Atmospheric chemistry and physics, 2011-07, Vol.11 (14), p.7133-7142

2011

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Diagnostic accuracy of plasma brain natriuretic peptide and aminoterminal-proBNP in mild heart failure depends on assay and introduction of therapy

Scandinavian journal of clinical and laboratory investigation, 2005, Vol.65 (8), p.633-648

2005

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Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (22), p.10883-10890

2014

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Electron Self-Exchange in Azurin: Calculation of the Superexchange Electron Tunneling Rate

Proceedings of the National Academy of Sciences - PNAS, 1993-06, Vol.90 (12), p.5443-5445

1993

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Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (24), p.15701-15709

2015

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Photocatalytic chloride-to-chlorine conversion by ionic iron in aqueous aerosols: a combined experimental, quantum chemical, and chemical equilibrium model study

Aerosol Research, 2024-03, Vol.2 (1), p.31-47

2024

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QM/MM-MD Simulations of Conjugated Polyelectrolytes: A Study of Luminescent Conjugated Oligothiophenes for Use as Biophysical Probes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-05, Vol.118 (19), p.3419-3428

2014

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Hybrid density functional theory/molecular mechanics calculations of two-photon absorption of dimethylamino nitro stilbene in solution

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (27), p.12506-12516

2011

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A CC2 dielectric continuum model and a CC2 molecular mechanics model

Molecular physics, 2003-07, Vol.101 (13), p.2055-2071

2003

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Sign Change of Hyperpolarizabilities of Solvated Water, Revised: Effects of Equilibrium and Nonequilibrium Solvation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-10, Vol.108 (41), p.8961-8965

2004

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Nonlinear optical response of molecules in a nonequilibrium solvation model

The Journal of chemical physics, 1998-10, Vol.109 (13), p.5576-5584

1998

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Solvatochromatic shifts studied by multi-configuration self-consistent reaction field theory. Application to azabenzenes

Chemical physics, 1992-01, Vol.159 (2), p.211-225

1992

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Dynamical theory of electron transfer: inclusion of inner-shell reorganization

The Journal of chemical physics, 1989-04, Vol.90 (8), p.4237-4247

1989

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Two-Photon Photosensitized Production of Singlet Oxygen in Water

Journal of the American Chemical Society, 2005-01, Vol.127 (1), p.255-269

2005

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Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para -, ortho -, and meta -nitroaniline

The Journal of chemical physics, 1998-10, Vol.109 (15), p.6351-6357

1998

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Coupled Cluster Calculation of the n → π Electronic Transition of Acetone in Aqueous Solution

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-09, Vol.109 (35), p.8001-8010

2005

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Quantum nature of the sign preference in ion-induced nucleation

A Theoretical Study of the Reaction between CH3S(OH)CH3 and O2

Structures and reaction rates of the gaseous oxidation of SO 2 by an O 3 − (H 2 O) 0-5 cluster – a density functional theory investigation

Tuning the dihydroazulene - vinylheptafulvene couple for storage of solar energy

Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

Effect of Molecular Structure and Hydration on the Uptake of Gas-Phase Sulfuric Acid by Charged Clusters/Ultrafine Particles

Modeling Absorption and Emission Spectroscopies of Symmetric and Asymmetric Azaoxahelicenes in Vacuum and Solution

Structures and reaction rates of the gaseous oxidation of SO2 by an O3−(H2O)0-5 cluster - a density functional theory investigation

Ab initio studies of O 2 − (H 2 O) n and O 3 − (H 2 O) n anionic molecular clusters, n≤12

Ab initio studies of O2−(H2O)n and O3−(H2O)n anionic molecular clusters, n< or =12

Diagnostic accuracy of plasma brain natriuretic peptide and aminoterminal-proBNP in mild heart failure depends on assay and introduction of therapy

Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters

Electron Self-Exchange in Azurin: Calculation of the Superexchange Electron Tunneling Rate

Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases

Photocatalytic chloride-to-chlorine conversion by ionic iron in aqueous aerosols: a combined experimental, quantum chemical, and chemical equilibrium model study

QM/MM-MD Simulations of Conjugated Polyelectrolytes: A Study of Luminescent Conjugated Oligothiophenes for Use as Biophysical Probes

Hybrid density functional theory/molecular mechanics calculations of two-photon absorption of dimethylamino nitro stilbene in solution

A CC2 dielectric continuum model and a CC2 molecular mechanics model

Sign Change of Hyperpolarizabilities of Solvated Water, Revised: Effects of Equilibrium and Nonequilibrium Solvation

Nonlinear optical response of molecules in a nonequilibrium solvation model

Solvatochromatic shifts studied by multi-configuration self-consistent reaction field theory. Application to azabenzenes

Dynamical theory of electron transfer: inclusion of inner-shell reorganization

Two-Photon Photosensitized Production of Singlet Oxygen in Water

Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para -, ortho -, and meta -nitroaniline

Coupled Cluster Calculation of the n → π Electronic Transition of Acetone in Aqueous Solution

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