Related references
Note: Only part of the references are listed.QCT dynamics study of OH/OD + GeH4 reactions. The problem of water bending excitation
J. Espinosa-Garcia et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Communication: Thermal unimolecular decomposition of syn-CH3CHOO: A kinetic study
Thanh Lam Nguyen et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Semiclassical Transition-State Theory Based on Fourth-Order Vibrational Perturbation Theory: The Symmetrical Eckart Barrier
John F. Stanton
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Accelerating the convergence of higher-order coupled cluster methods
Devin A. Matthews et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations
Devin A. Matthews et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry
Branko Ruscic
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
A Steady-State Approximation to the Two-Dimensional Master Equation for Chemical Kinetics Calculations
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2015)
Use of NH3 fuel to achieve deep greenhouse gas reductions from US transportation
Doo Won Kang et al.
ENERGY REPORTS (2015)
Uncertainty Quantification in Thermochemistry, Benchmarking Electronic Structure Computations, and Active Thermochemical Tables
Branko Ruscic
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2014)
Accurate ab Initio Thermal Rate Constants for Reaction of O(3P) with H2 and Isotopic Analogues
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface
M. Monge-Palacios et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Ab initio based potential energy surface and kinetics study of the OH + NH3 hydrogen abstraction reaction
M. Monge-Palacios et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
An efficient linear-scaling CCSD(T) method based on local natural orbitals
Zoltan Rolik et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Role of Vibrational and Translational Energy in the OH + NH3 Reaction: A Quasi-Classical Trajectory Study
M. Monge-Palacios et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Ab Initio Thermal Rate Calculations of HO + HO = O(3P) + H2O Reaction and Isotopologues
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Accurate Determination of Barrier Height and Kinetics for the F + H2O → HF + OH Reaction
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Improved Multidimensional Semiclassical Tunneling Theory
Albert F. Wagner
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
HO+CO Reaction Rates and H/D Kinetic Isotope Effects: Master Equation Models with ab Initio SCTST Rate Constants
Ralph E. Weston et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Novel heavy duty engine concept for operation dual fuel H2-NH3
Alberto A. Boretti
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2012)
Kinetic Isotope Effects for Cl+CH4⇆HCl+CH3 Calculated Using ab Initio Semiclassical Transition State Theory
John R. Barker et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Reaction of HO with CO: Tunneling Is Indeed Important
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
The role of NNH in NO formation and control
Stephen J. Klippenstein et al.
COMBUSTION AND FLAME (2011)
Ab Initio Reaction Rate Constants Computed Using Semiclassical Transition-State Theory: HO+H2 → H2O+H and Isotopologues
Thanh Lam Nguyen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
A practical implementation of semi-classical transition state theory for polyatomics
Thanh Lam Nguyen et al.
CHEMICAL PHYSICS LETTERS (2010)
Ammonia as a green fuel and hydrogen source for vehicular applications
C. Zamfirescu et al.
FUEL PROCESSING TECHNOLOGY (2009)
Potential importance of hydrogen as a future solution to environmental and transportation problems
Mustafa Balat
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2008)
High-accuracy extrapolated ab initio thermochemistry.: III.: Additional improvements and overview
Michael E. Harding et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Using ammonia as a sustainable fuel
C. Zamfirescu et al.
JOURNAL OF POWER SOURCES (2008)
Towards the hydrogen economy?
Gregorio Marban et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2007)
High-accuracy extrapolated ab initio thermochemistry.: II.: Minor improvements to the protocol and a vital simplification
Yannick J. Bomble et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
IUPAC critical evaluation of thermochemical properties of selected radicals.: Part I
B Ruscic et al.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2005)
Evaluated kinetic data for combustion modeling: Supplement II
DL Baulch et al.
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA (2005)
HEAT:: High accuracy extrapolated ab initio thermochemistry
A Tajti et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Multiple-well, multiple-path unimolecular reaction systems. I. MultiWell computer program suite
JR Barker
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2001)
Adiabatic connection for kinetics
BJ Lynch et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)