Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2
出版年份 2014 全文链接
标题
Theoretical/experimental comparison of deep tunneling decay of quasi-bound H(D)OCO to H(D) + CO2
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 141, Issue 5, Pages 054304
出版商
AIP Publishing
发表日期
2014-08-06
DOI
10.1063/1.4891675
参考文献
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- (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
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