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The properties of polycyclic aromatic hydrocarbons in galaxies: constraints on PAH sizes, charge and radiation fields

Monthly notices of the Royal Astronomical Society, 2021-07, Vol.504 (4), p.5287-5300

2021

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Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

The journal of physical chemistry. B, 2006-09, Vol.110 (36), p.17719-17735

2006

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The Water Dipole Moment in Water Clusters

Science (American Association for the Advancement of Science), 1997-02, Vol.275 (5301), p.814-817

1997

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Characterization of a cage form of the water hexamer

Nature (London), 1996-06, Vol.381 (6582), p.501-503

1996

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Improving Grape Quality Using Microwave Vacuum Drying Associated with Temperature Control

Journal of food science, 2007, Vol.72 (1), p.E023-E028

2007

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Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

Monthly notices of the Royal Astronomical Society, 2022-05, Vol.513 (3), p.3663-3681

2022

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Porosity, Color, Texture, and Microscopic Structure of Russet Potatoes Dried Using Microwave Vacuum, Heated Air, and Freeze Drying

Applied engineering in agriculture, 2009, Vol.25 (5), p.719-724

2009

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An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: Applications to the abstraction of hydrogen from alkanes

The Journal of chemical physics, 2011-09, Vol.135 (9), p.094311-094311-14

2011

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Fast Chemical Reactions: Theory Challenges Experiment

Annual review of physical chemistry, 1990-01, Vol.41 (1), p.61-90

Clary, D C

1990

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Mechanism of photoinduced changes in the structure and optical properties of amorphous As2S3

Physical review letters, 2000-10, Vol.85 (15), p.3305-3308

2000

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Quantum initial value representation simulation of water trimer far infrared absorption spectrum

The Journal of chemical physics, 2004-03, Vol.120 (12), p.5608-5615

2004

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Bond-selected reaction of HOD with H atoms

Chemical physics letters, 1992-04, Vol.192 (1), p.34-40

Clary, D.C.

1992

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Quantum Theory of Chemical Reaction Dynamics

Science (American Association for the Advancement of Science), 1998-03, Vol.279 (5358), p.1879-1882

Clary, David C.

1998

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Potential optimized discrete variable representation

Chemical physics letters, 1992-03, Vol.190 (3), p.225-230

1992

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Application of hyperspherical coordinates to four-atom reactive scattering: H2+CN→H+HCN

The Journal of chemical physics, 1990-04, Vol.92 (7), p.4178-4190

1990

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Bruising Profile of Fresh Apples Associated with Tissue Type and Structure

Applied engineering in agriculture, 2010, Vol.26 (3), p.509-517

2010

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Torsional diffusion Monte Carlo: A method for quantum simulations of proteins

The Journal of chemical physics, 2001-06, Vol.114 (22), p.9725-9732

Clary, David C.

2001

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Calculation of the electronic spectrum for Ar-Oh

The Journal of chemical physics, 1990-09, Vol.93 (5), p.3367-3378

1990

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Calculations of rate constants for ion-molecule reactions using a combined capture and centrifugal sudden approximation

Molecular physics, 1985-02, Vol.54 (3), p.605-618

Clary, D.C.

1985

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Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(3P)

The Journal of chemical physics, 2001-08, Vol.115 (5), p.2188-2197

2001

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H-Densities: A New Concept for Hydrated Molecules

Accounts of chemical research, 2000-07, Vol.33 (7), p.441-447

2000

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The energy landscape as a unifying theme in molecular science

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2005-02, Vol.363 (1827), p.357-377

2005

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The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4→OH + CH3 reaction

Physical chemistry chemical physics : PCCP, 2000-01, Vol.2 (18), p.4105-4114

2000

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Vibrational predissociation of ArH2O

The Journal of chemical physics, 1992-12, Vol.97 (11), p.8111-8122

1992

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Quantum scattering calculations on chemical reactions

Annual review of physical chemistry, 2003-01, Vol.54 (1), p.493-529

2003

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The properties of polycyclic aromatic hydrocarbons in galaxies: constraints on PAH sizes, charge and radiation fields

Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

The Water Dipole Moment in Water Clusters

Characterization of a cage form of the water hexamer

Improving Grape Quality Using Microwave Vacuum Drying Associated with Temperature Control

Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

Porosity, Color, Texture, and Microscopic Structure of Russet Potatoes Dried Using Microwave Vacuum, Heated Air, and Freeze Drying

An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: Applications to the abstraction of hydrogen from alkanes

Fast Chemical Reactions: Theory Challenges Experiment

Mechanism of photoinduced changes in the structure and optical properties of amorphous As2S3

Quantum initial value representation simulation of water trimer far infrared absorption spectrum

Bond-selected reaction of HOD with H atoms

Quantum Theory of Chemical Reaction Dynamics

Potential optimized discrete variable representation

Application of hyperspherical coordinates to four-atom reactive scattering: H2+CN→H+HCN

Bruising Profile of Fresh Apples Associated with Tissue Type and Structure

Torsional diffusion Monte Carlo: A method for quantum simulations of proteins

Calculation of the electronic spectrum for Ar-Oh

Calculations of rate constants for ion-molecule reactions using a combined capture and centrifugal sudden approximation

Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(3P)

H-Densities: A New Concept for Hydrated Molecules

The energy landscape as a unifying theme in molecular science

The effect of the symmetric and asymmetric stretching vibrations of CH4 on the O(3P) + CH4→OH + CH3 reaction

Vibrational predissociation of ArH2O

Quantum scattering calculations on chemical reactions

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