Reaction dynamics of CN radicals with tetrahydrofuran in liquid solutions

Product energy deposition of CN + alkane H abstraction reactions in gas and solution phases

(2011) David R. Glowacki et al.   JOURNAL OF CHEMICAL PHYSICS

Vibrationally quantum-state-specific dynamics of the reactions of CN radicals with organic molecules in solution

(2011) Rebecca A. Rose et al.   JOURNAL OF CHEMICAL PHYSICS

Boxed Molecular Dynamics: Decorrelation Time Scales and the Kinetic Master Equation

(2011) David R. Glowacki et al.   Journal of Chemical Theory and Computation

Chemical Reaction Dynamics in Liquid Solutions

(2011) Andrew J. Orr-Ewing et al.   Journal of Physical Chemistry Letters

Ultrafast energy flow in the wake of solution-phase bimolecular reactions

(2011) David R. Glowacki et al.   Nature Chemistry

Vibrationally Quantum-State-Specific Reaction Dynamics of H Atom Abstraction by CN Radical in Solution

(2011) S. J. Greaves et al.   SCIENCE

Ultra: A Unique Instrument for Time-Resolved Spectroscopy

(2010) Gregory M. Greetham et al.   APPLIED SPECTROSCOPY

First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran

(2010) William J. Glover et al.   JOURNAL OF CHEMICAL PHYSICS

Reactive Scattering as a Chemically Specific Analytical Probe of Liquid Surfaces

(2010) Carla Waring et al.   Journal of Physical Chemistry Letters

Searching for solvent cavities via electron photodetachment: The ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents

(2009) Molly C. Larsen et al.   JOURNAL OF CHEMICAL PHYSICS

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Time-Resolved Studies of the Reactions of CN Radical Complexes with Alkanes, Alcohols, and Chloroalkanes†

(2009) Andrew C. Crowther et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Boxed Molecular Dynamics: A Simple and General Technique for Accelerating Rare Event Kinetics and Mapping Free Energy in Large Molecular Systems

(2009) David R. Glowacki et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Eckart axis conditions, Gauss’ principle of least constraint, and the optimal superposition of molecular structures

(2008) Gerald R. Kneller   JOURNAL OF CHEMICAL PHYSICS

Time-Resolved Studies of CN Radical Reactions and the Role of Complexes in Solution

(2008) Andrew C. Crowther et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Ultrafast Charge-Transfer-to-Solvent Dynamics of Iodide in Tetrahydrofuran. 1. Exploring the Roles of Solvent and Solute Electronic Structure in Condensed-Phase Charge-Transfer Reactions†

(2007) Arthur E. Bragg et al.   JOURNAL OF PHYSICAL CHEMISTRY B