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Selective reactivity of glycosyl cation stereoisomers: the role of intramolecular hydrogen bonding

Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (39), p.26737-26747

2023

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Gas phase dynamics, conformational transitions and spectroscopy of charged saccharides: the oxocarbenium ion, protonated anhydrogalactose and protonated methyl galactopyranoside

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.4144-4157

2020

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Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (21), p.976-9775

2014

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Experiments and Simulations of Ion-Enhanced Interfacial Chemistry on Aqueous NaCl Aerosols

Science (American Association for the Advancement of Science), 2000-04, Vol.288 (5464), p.301-306

2000

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Formation of novel rare-gas molecules in low-temperature matrices

Annual review of physical chemistry, 2004-01, Vol.55 (1), p.55-78

Gerber, R B

2004

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Ionization of Acids on the Quasi-Liquid Layer of Ice

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-07, Vol.118 (27), p.5029-5037

2014

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Ionization of Nitric Acid on Crystalline Ice: The Role of Defects and Collective Proton Movement

The journal of physical chemistry letters, 2013-06, Vol.4 (11), p.1850-1855

2013

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Photodissociation yields for vibrationally excited states of sulfuric acid under atmospheric conditions

Geophysical research letters, 2007-08, Vol.34 (16), p.L16820-n/a

2007

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Anharmonic Vibrational Spectroscopy Calculations for Proton-Bound Amino Acid Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-03, Vol.113 (10), p.1905-1912

2009

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New Experimental and Theoretical Approach to the Heterogeneous Hydrolysis of NO2: Key Role of Molecular Nitric Acid and Its Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-06, Vol.110 (21), p.6886-6897

2006

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Ultrafast photochemistry of methyl hydroperoxide on ice particles

Proceedings of the National Academy of Sciences - PNAS, 2010-04, Vol.107 (15), p.6600-6604

2010

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Mid-IR spectra of different conformers of phenylalanine in the gas phase

Physical chemistry chemical physics : PCCP, 2008-03, Vol.10 (9), p.1248-1256

2008

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Photochemical Processes Induced by Vibrational Overtone Excitations: Dynamics Simulations for cis-HONO, trans-HONO, HNO3, and HNO3−H2O

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-04, Vol.110 (16), p.5342-5354

2006

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HKrF in solid krypton

The Journal of chemical physics, 2002-02, Vol.116 (6), p.2508-2515

2002

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Concerted transfer of multiple protons in acid-water clusters: [(HCl)(H 2 O)] 2 and [(HF)(H 2 O)] 4

Physical chemistry chemical physics : PCCP, 2017-08, Vol.19 (31), p.20641-20646

2017

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Different chemical dynamics for different conformers of biological molecules: photoionization of glycine

The Journal of chemical physics, 2005-06, Vol.122 (24), p.241104-241104

2005

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Vibrational spectroscopy and matrix-site geometries of HArF, HKrF, HXeCl, and HXeI in rare-gas solids

The Journal of chemical physics, 2002-04, Vol.116 (13), p.5521-5529

2002

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Ab Initio Vibrational Calculations for H2SO4 and H2SO4·H2O: Spectroscopy and the Nature of the Anharmonic Couplings

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-07, Vol.109 (29), p.6565-6574

2005

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Understanding interactions of organic nitrates with the surface and bulk of organic films: implications for particle growth in the atmosphere

Environmental science--processes & impacts, 2018-11, Vol.20 (11), p.1593-1610

2018

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Dynamics of Electronic States and Spin−Flip for Photodissociation of Dihalogens in Matrices: Experiment and Semiclassical Surface-Hopping and Quantum Model Simulations for F2 and ClF in Solid Ar

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-09, Vol.111 (38), p.9573-9585

2007

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Ultrafast solvent-induced spin-flip and nonadiabatic coupling: ClF in argon solids

Physical review letters, 2002-09, Vol.89 (10), p.108301-108301, Article 108301

2002

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Anharmonic Wave Functions of Proteins: Quantum Self-Consistent Field Calculations of BPTI

Science (American Association for the Advancement of Science), 1995-06, Vol.268 (5215), p.1319-1322

1995

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Vibrational spectroscopy and the development of new force fields for biological molecules

Biopolymers, 2003-03, Vol.68 (3), p.370-382

2003

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Vibrational Spectroscopy of Peptides and Peptide−Water Complexes: Anharmonic Coupled-Mode Calculations

The journal of physical chemistry. B, 1997-10, Vol.101 (42), p.8595-8606

1997

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Molecular scattering from surfaces: theoretical methods and results

Chemical reviews, 1987-02, Vol.87 (1), p.29-79

Gerber, R. B

1987

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Selective reactivity of glycosyl cation stereoisomers: the role of intramolecular hydrogen bonding

Gas phase dynamics, conformational transitions and spectroscopy of charged saccharides: the oxocarbenium ion, protonated anhydrogalactose and protonated methyl galactopyranoside

Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters

Experiments and Simulations of Ion-Enhanced Interfacial Chemistry on Aqueous NaCl Aerosols

Formation of novel rare-gas molecules in low-temperature matrices

Ionization of Acids on the Quasi-Liquid Layer of Ice

Ionization of Nitric Acid on Crystalline Ice: The Role of Defects and Collective Proton Movement

Photodissociation yields for vibrationally excited states of sulfuric acid under atmospheric conditions

Anharmonic Vibrational Spectroscopy Calculations for Proton-Bound Amino Acid Dimers

New Experimental and Theoretical Approach to the Heterogeneous Hydrolysis of NO2: Key Role of Molecular Nitric Acid and Its Complexes

Ultrafast photochemistry of methyl hydroperoxide on ice particles

Mid-IR spectra of different conformers of phenylalanine in the gas phase

Photochemical Processes Induced by Vibrational Overtone Excitations: Dynamics Simulations for cis-HONO, trans-HONO, HNO3, and HNO3−H2O

HKrF in solid krypton

Concerted transfer of multiple protons in acid-water clusters: [(HCl)(H 2 O)] 2 and [(HF)(H 2 O)] 4

Different chemical dynamics for different conformers of biological molecules: photoionization of glycine

Vibrational spectroscopy and matrix-site geometries of HArF, HKrF, HXeCl, and HXeI in rare-gas solids

Ab Initio Vibrational Calculations for H2SO4 and H2SO4·H2O: Spectroscopy and the Nature of the Anharmonic Couplings

Understanding interactions of organic nitrates with the surface and bulk of organic films: implications for particle growth in the atmosphere

Dynamics of Electronic States and Spin−Flip for Photodissociation of Dihalogens in Matrices: Experiment and Semiclassical Surface-Hopping and Quantum Model Simulations for F2 and ClF in Solid Ar

Ultrafast solvent-induced spin-flip and nonadiabatic coupling: ClF in argon solids

Anharmonic Wave Functions of Proteins: Quantum Self-Consistent Field Calculations of BPTI

Vibrational spectroscopy and the development of new force fields for biological molecules

Vibrational Spectroscopy of Peptides and Peptide−Water Complexes: Anharmonic Coupled-Mode Calculations

Molecular scattering from surfaces: theoretical methods and results

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