Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds under atmospheric conditions
|
journal
|
February 1986 |
Role of Hydrogen-Bonded Intermediates in the Bimolecular Reactions of the Hydroxyl Radical
|
journal
|
May 2002 |
Gas-phase radical chemistry in the troposphere
|
journal
|
January 2005 |
Hydroxyl Radical-Mediated Modification of Proteins as Probes for Structural Proteomics
|
journal
|
August 2007 |
Environmental Implications of Hydroxyl Radicals ( • OH)
|
journal
|
December 2015 |
Isotope Specific Kinetics of Hydroxyl Radical (OH) with Water (H 2 O): Testing Models of Reactivity and Atmospheric Fractionation
|
journal
|
February 1997 |
Identification of H2O·HO in Argon Matrices
|
journal
|
December 2000 |
Infrared Measurements and Calculations on H 2 O·HO
|
journal
|
May 2003 |
Rotational Spectrum and Hydrogen Bonding of the H 2 O−HO Radical Complex
|
journal
|
January 2005 |
Infrared Spectra of Products of the Reaction of H Atoms with O 2 Trapped in Solid Neon: HO 2 , HO 2 + , HOHOH – , and H 2 O(HO)
|
journal
|
December 2012 |
Barrier heights for hydrogen atom transfer reactions: evaluation of ab initio molecular orbital methods for the degenerate exchange hydroxyl radical + water .fwdarw. H2O + .bul.OH
|
journal
|
April 1992 |
Theoretical Estimation of the Activation Energy for the Reaction HO • + H 2 O → H 2 O + • OH: Importance of Tunneling
|
journal
|
July 1998 |
Mechanism of the Gas-Phase HO + H 2 O → H 2 O + OH Reaction and Several Associated Isotope Exchange Reactions: A Canonical Variational Transition State Theory Plus Multidimensional Tunneling Calculation
|
journal
|
February 1999 |
Ab initio investigation on the reaction path and rate for the gas-phase reaction of HO + H2O ? H2O + OH
|
journal
|
August 2003 |
The reaction between HO and (H2O) n (n = 1, 3) clusters: reaction mechanisms and tunneling effects
|
journal
|
September 2010 |
Hydrogen bonding between the water molecule and the hydroxyl radical (H 2 O⋅HO): The global minimum
|
journal
|
June 1993 |
The Symmetric Exchange Reaction OH + H 2 O → H 2 O + OH: Convergent Quantum Mechanical Predictions
|
journal
|
December 2016 |
Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H 2 O = H 2 O + OH reaction
|
journal
|
January 2017 |
Transition-state spectroscopy via negative ion photodetachment
|
journal
|
February 1993 |
The Transition State of the F + H2 Reaction
|
journal
|
December 1993 |
Nonadiabatic Interactions in the Cl + H2 Reaction Probed by ClH2- and ClD2- Photoelectron Imaging
|
journal
|
January 2008 |
Slow Photoelectron Velocity-Map Imaging of Cryogenically Cooled Anions
|
journal
|
April 2018 |
Imaging Dynamics on the F + H2O -> HF + OH Potential Energy Surfaces from Wells to Barriers
|
journal
|
January 2014 |
Once upon Anion: A Tale of Photodetachment
|
journal
|
April 2013 |
The Negative Ion Photoelectron Spectrum of Cyclopropane-1,2,3-Trione Radical Anion, (CO) 3 •– — A Joint Experimental and Computational Study
|
journal
|
August 2014 |
Experimental and Theoretical Studies of the F • + H–F Transition-State Region by Photodetachment of [F–H–F] −
|
journal
|
October 2017 |
Spectroscopy of the transition state: Elementary reactions of the hydroxyl radical studied by photoelectron spectroscopy of O − (H 2 O) and H 3 O − 2
|
journal
|
April 1995 |
Transition state dynamics of the OH+H2O hydrogen exchange reaction studied by dissociative photodetachment of H3O2-
|
journal
|
January 2000 |
Franck–Condon simulations of transition-state spectra for the OH + H 2 O and OD + D 2 O reactions
|
journal
|
January 2020 |
Cryogenic and temperature-dependent photoelectron spectroscopy of metal complexes
|
journal
|
January 2020 |
Determination of the electron affinity of iodine
|
journal
|
April 1992 |
Photodetachment of free hexahalogenometallate doubly charged anions in the gas phase: [ML6]2−, (M=Re, Os, Ir, Pt; L=Cl and Br)
|
journal
|
September 1999 |
Note on an Approximation Treatment for Many-Electron Systems
|
journal
|
October 1934 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
|
journal
|
February 1982 |
A fifth-order perturbation comparison of electron correlation theories
|
journal
|
May 1989 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
|
journal
|
January 1989 |
Theoretical Study of Hydroxide Ion-Water Clusters
|
journal
|
October 1995 |
A systematic study of molecular vibrational anharmonicity and vibration—rotation interaction by self-consistent-field higher-derivative methods. Asymmetric top molecules
|
journal
|
July 1988 |
A systematic study of molecular vibrational anharmonicity and vibration-rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules
|
journal
|
September 1990 |
Vibrational zero-point energies and thermodynamic functions beyond the harmonic approximation
|
journal
|
February 2004 |
Anharmonic vibrational properties by a fully automated second-order perturbative approach
|
journal
|
January 2005 |
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
|
journal
|
September 2010 |
Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction, Coupled-Cluster, and Many-Body Perturbation Theories
|
journal
|
November 2003 |
Higher-order equation-of-motion coupled-cluster methods
|
journal
|
January 2004 |
Symbolic Algebra in Quantum Chemistry
|
journal
|
January 2006 |
Combined coupled-cluster and many-body perturbation theories
|
journal
|
January 2004 |
Active-space coupled-cluster study of electronic states of Be3
|
journal
|
August 2005 |
Photodetachment of F−(H2O)n (n=1–4): Observation of charge-transfer states [F−(H2O)n+] and the transition state of F+H2O hydrogen abstraction reaction
|
journal
|
August 2001 |
The Cl?NH3, Cl?H2O, F?NH3 and F?H2O clusters and their photoelectron spectra
|
journal
|
December 1994 |
Structure of the First Solvation Shell of the Hydroxide Anion. A Model Study Using OH - (H 2 O) n ( n = 4, 5, 6, 7, 11, 17) Clusters
|
journal
|
October 1997 |
Ab initio calculation of proton barrier and binding energy of the (H2O)OH− complex
|
journal
|
June 2002 |
Quantum Calculations of Vibrational Energies of H 3 O 2 - on an ab Initio Potential
|
journal
|
April 2004 |
Structures, energetics, and spectra of OH−(H2O)n and SH−(H2O)n clusters, n=1–5: Ab initio study
|
journal
|
September 2002 |
Excited states of OH-(H 2 O) n clusters for n = 1–4: An ab initio study
|
journal
|
September 2014 |
Argon predissociation infrared spectroscopy of the hydroxide–water complex (OH−·H2O)
|
journal
|
December 2002 |
Spectroscopic Determination of the OH- Solvation Shell in the OH-middle dot(H2O)n Clusters
|
journal
|
January 2003 |
Argon Predissociation Spectroscopy of the OH - ·H 2 O and Cl - ·H 2 O Complexes in the 1000−1900 cm -1 Region: Intramolecular Bending Transitions and the Search for the Shared-Proton Fundamental in the Hydroxide Monohydrate
|
journal
|
February 2005 |
Generating Spectra from Ground-State Wave Functions: Unraveling Anharmonic Effects in the OH − ·H 2 O Vibrational Predissociation Spectrum †
|
journal
|
July 2009 |
Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH− ⋅ (H2O)n=2,3 and OD− ⋅ (D2O)n=2,3 clusters
|
journal
|
October 2016 |
The reorientation mechanism of hydroxide ions in water: A molecular dynamics study
|
journal
|
October 2009 |
On the Quantum Nature of the Shared Proton in Hydrogen Bonds
|
journal
|
February 1997 |