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VCD Spectroscopy for Organic Chemists

1, 2012

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Catalytic activity of methanol in all-vapor subsecond clathrate-hydrate formation

The Journal of chemical physics, 2014-04, Vol.140 (16), p.164505-164505

Devlin, J Paul

2014

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NH3 as simple clathrate-hydrate catalyst: Experiment and theory

The Journal of chemical physics, 2018-06, Vol.148 (23), p.234501-234501

2018

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Autoionization at the surface of neat water : is the top layer pH neutral, basic, or acidic?

Physical chemistry chemical physics : PCCP, 2007-01, Vol.9 (34), p.4736-4747

2007

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Can sulfur-containing molecules solvate/ionize HCl? Solid state solvation of HCl on/in methanethiol clusters/nanoparticles

The Journal of chemical physics, 2019-11, Vol.151 (19), p.194309-194309

2019

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NH3 as unique non-classical content-former within clathrate hydrates

The Journal of chemical physics, 2017-06, Vol.146 (23), p.234508-234508

2017

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The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy

Chirality (New York, N.Y.), 2008-05, Vol.20 (5), p.643-663

2008

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Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles

Nature (London), 2002-05, Vol.417 (6886), p.269-271

2002

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Relating the current science of ion-defect behavior in ice to a plausible mechanism for directional charge transfer during ice particle collisions

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (44), p.1977-19713

Devlin, J. Paul

2011

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Clathrate hydrates with hydrogen-bonding guests

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (44), p.10245-10265

2009

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Determination of the Absolute Configuration of a Chiral Oxadiazol-3-one Calcium Channel Blocker, Resolved Using Chiral Chromatography, via Concerted Density Functional Theory Calculations of Its Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation

Journal of organic chemistry, 2007-06, Vol.72 (13), p.4707-4715

2007

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Determination of the Absolute Configuration of [32](1,4)Barrelenophanedicarbonitrile Using Concerted Time-Dependent Density Functional Theory Calculations of Optical Rotation and Electronic Circular Dichroism

Journal of the American Chemical Society, 2004-06, Vol.126 (24), p.7514-7521

2004

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Tracking all-vapor instant gas-hydrate formation and guest molecule populations: a possible probe for molecules trapped in water nanodroplets

The Journal of chemical physics, 2012-11, Vol.137 (20), p.204501

2012

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Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

Journal of organic chemistry, 2007-04, Vol.72 (9), p.3521-3536

2007

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Calculation of Optical Rotation Using Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-06, Vol.105 (22), p.5356-5371

2001

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Hydroxide Impurity in Ice

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-07, Vol.113 (26), p.7482-7490

2009

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Efficient Thia-Bridged Triarylamine Heterohelicenes: Synthesis, Resolution, and Absolute Configuration Determination

Chemistry : a European journal, 2008-06, Vol.14 (19), p.5747-5750

2008

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Comment on "HCl adsorption on ice at low temperature: a combined X-ray absorption, photoemission and infrared study" by P. Parent, J. Lasne, G. Marcotte and C. Laffon, Phys. Chem. Chem. Phys., 2011, 13, 7142

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (2), p.1048-1049

2012

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Solid water clusters in the size range of tens-thousands of H2O: a combined computational/spectroscopic outlook

International reviews in physical chemistry, 2004-07, Vol.23 (3), p.375-433

2004

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Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-06, Vol.106 (25), p.6102-6113

2002

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Communication: Fourier-transform infrared probing of remarkable quantities of gas trapped in cold homogeneously nucleated nanodroplets

The Journal of chemical physics, 2013-07, Vol.139 (2), p.021107-021107

2013

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Determination of Absolute Configuration Using Optical Rotation Calculated Using Density Functional Theory

Organic letters, 2002-12, Vol.4 (26), p.4595-4598

2002

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Determination of Molecular Structure in Solution Using Vibrational Circular Dichroism Spectroscopy: the Supramolecular Tetramer of S -2,2‘-Dimethyl-Biphenyl-6,6‘-Dicarboxylic Acid

Journal of the American Chemical Society, 2005-05, Vol.127 (18), p.6700-6711

2005

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Infrared Spectra of Large H2O Clusters: New Understanding of the Elusive Bending Mode of Ice

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-02, Vol.105 (6), p.974-983

2001

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CO2 and C2H2 in cold nanodroplets of oxygenated organic molecules and water

The Journal of chemical physics, 2014-11, Vol.141 (18), p.18C506-18C506

2014

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VCD Spectroscopy for Organic Chemists

Catalytic activity of methanol in all-vapor subsecond clathrate-hydrate formation

NH3 as simple clathrate-hydrate catalyst: Experiment and theory

Autoionization at the surface of neat water : is the top layer pH neutral, basic, or acidic?

Can sulfur-containing molecules solvate/ionize HCl? Solid state solvation of HCl on/in methanethiol clusters/nanoparticles

NH3 as unique non-classical content-former within clathrate hydrates

The determination of the absolute configurations of chiral molecules using vibrational circular dichroism (VCD) spectroscopy

Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles

Relating the current science of ion-defect behavior in ice to a plausible mechanism for directional charge transfer during ice particle collisions

Clathrate hydrates with hydrogen-bonding guests

Determination of the Absolute Configuration of a Chiral Oxadiazol-3-one Calcium Channel Blocker, Resolved Using Chiral Chromatography, via Concerted Density Functional Theory Calculations of Its Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation

Determination of the Absolute Configuration of [32](1,4)Barrelenophanedicarbonitrile Using Concerted Time-Dependent Density Functional Theory Calculations of Optical Rotation and Electronic Circular Dichroism

Tracking all-vapor instant gas-hydrate formation and guest molecule populations: a possible probe for molecules trapped in water nanodroplets

Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin

Calculation of Optical Rotation Using Density Functional Theory

Hydroxide Impurity in Ice

Efficient Thia-Bridged Triarylamine Heterohelicenes: Synthesis, Resolution, and Absolute Configuration Determination

Comment on "HCl adsorption on ice at low temperature: a combined X-ray absorption, photoemission and infrared study" by P. Parent, J. Lasne, G. Marcotte and C. Laffon, Phys. Chem. Chem. Phys., 2011, 13, 7142

Solid water clusters in the size range of tens-thousands of H2O: a combined computational/spectroscopic outlook

Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

Communication: Fourier-transform infrared probing of remarkable quantities of gas trapped in cold homogeneously nucleated nanodroplets

Determination of Absolute Configuration Using Optical Rotation Calculated Using Density Functional Theory

Determination of Molecular Structure in Solution Using Vibrational Circular Dichroism Spectroscopy: the Supramolecular Tetramer of S -2,2‘-Dimethyl-Biphenyl-6,6‘-Dicarboxylic Acid

Infrared Spectra of Large H2O Clusters: New Understanding of the Elusive Bending Mode of Ice

CO2 and C2H2 in cold nanodroplets of oxygenated organic molecules and water

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