Accurate combined-hyperbolic-inverse-power-representation of ab initio potential energy surface for the hydroperoxyl radical and dynamics study of O+OH reaction

Combined-hyperbolic-inverse-power-representation of potential energy surfaces: A preliminary assessment for H3 and HO2

(2013) A. J. C. Varandas   JOURNAL OF CHEMICAL PHYSICS

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

N(4S /2D)+N2: Accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics

(2012) B. R. L. Galvão et al.   JOURNAL OF CHEMICAL PHYSICS

Refining to near spectroscopic accuracy the double many-body expansion potential energy surface for ground-state NH2

(2011) S.P.J. Rodrigues et al.   CHEMICAL PHYSICS LETTERS

Quasiclassical Trajectory Study of the C(1D) + H2Reaction and Isotopomeric Variants: Kinetic Isotope Effect and CD/CH Branching Ratio

(2011) S. Joseph et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ultracold collisions and reactions of vibrationally excited OH radicals with oxygen atoms

(2011) Juan Carlos Juanes-Marcos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Toward the modeling of the NO2(2A″) manifold

(2010) V. C. Mota et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

State-to-state quantum dynamics of the O(P3)+OH(Π2)→H(S2)+O2(Σ3g−) reaction

(2010) Jianyi Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Permutationally invariant potential energy surfaces in high dimensionality

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

O+OH→O2+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment

(2009) F. Lique et al.   JOURNAL OF CHEMICAL PHYSICS

Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization

(2009) Zhen Xie et al.   Journal of Chemical Theory and Computation

New Theoretical Results Concerning the Interstellar Abundance of Molecular Oxygen

(2008) Donghui Quan et al.   ASTROPHYSICAL JOURNAL

Quasiclassical trajectory scattering calculations for the OH+O→H+O2 reaction: Cross sections and rate constants

(2008) M. Jorfi et al.   CHEMICAL PHYSICS LETTERS

Quantum dynamics of the O+OH→H+O2 reaction at low temperatures

(2008) Goulven Quéméner et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface

(2008) Shi Ying Lin et al.   JOURNAL OF CHEMICAL PHYSICS

HN2(2A‘) Electronic Manifold. II.AbInitioBased Double-Sheeted DMBE Potential Energy Surface via a Global Diabatization Angle

(2008) Vinícius C. Mota et al.   JOURNAL OF PHYSICAL CHEMISTRY A