Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2

Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface

(2014) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Full-dimensional characterization of photoelectron spectra of HOCO− and DOCO− and tunneling facilitated decay of HOCO prepared by anion photodetachment

(2014) Jun Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Mode-Specific Tunneling in the Unimolecular Dissociation of cis-HOCO to H + CO2

(2014) Xiaohong Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Communication: An accurate global potential energy surface for the OH + CO → H + CO2 reaction using neural networks

(2013) Jun Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems

(2013) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Permutation invariant polynomial neural network approach to fitting potential energy surfaces

(2013) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Improved Multidimensional Semiclassical Tunneling Theory

(2013) Albert F. Wagner   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Quasi-classical trajectory study of the H + CO2 → HO + CO reaction on a new ab initio based potential energy surface

(2012) Changjian Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction

(2012) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Quasi-Classical Trajectory Study of the HO + CO → H + CO2 Reaction on a New ab Initio Based Potential Energy Surface

(2012) Jun Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

CO2 Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO2 Reaction and H + CO2 Inelastic Collision

(2012) Jose C. Corchado et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum Dynamics of the HO + CO → H + CO2 Reaction on an Accurate Potential Energy Surface

(2012) Jianyi Ma et al.   Journal of Physical Chemistry Letters

Tunneling Facilitated Dissociation toH+CO2inHOCO−Photodetachment

(2012) Jianyi Ma et al.   PHYSICAL REVIEW LETTERS

Communication: New insight into the barrier governing CO2 formation from OH + CO

(2011) Christopher J. Johnson et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

(2011) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Reaction Rate Constants Computed Using Semiclassical Transition-State Theory: HO + H2→ H2O + H and Isotopologues

(2011) Thanh Lam Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Electron Affinities, Well Depths, and Vibrational Spectroscopy ofcis- andtrans-HOCO

(2011) Christopher J. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantitative vibronic coupling calculations: the formyloxyl radical

(2011) Kerstin Klein et al.   THEORETICAL CHEMISTRY ACCOUNTS

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

HOCO Radical Chemistry

(2010) Joseph S. Francisco et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dissociative Photodetachment Studies of Cooled HOCO¯ Anions Revealing Dissociation Below the Barrier to H + CO2

(2010) Christopher J. Johnson et al.   Journal of Physical Chemistry Letters

Permutationally invariant potential energy surfaces in high dimensionality

(2009) Bastiaan J. Braams et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Simplified CCSD(T)-F12 methods: Theory and benchmarks

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS