The C(3P) + NO(X2Π) → O(3P) + CN(X2Σ+), N(2D)/N(4S) + CO(X1Σ+) reaction: Rates, branching ratios, and final states from 15 K to 20 000 K

Accurate Explicit-Correlation-MRCI-Based DMBE Potential-Energy Surface for Ground-State CNO

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Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces

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Communication: Vibrational relaxation of CO(1Σ) in collision with Ar(1S) at temperatures relevant to the hypersonic flight regime

(2017) Otoniel Denis-Alpizar et al.   JOURNAL OF CHEMICAL PHYSICS

Accuracy of trajectory surface-hopping methods: Test for a two-dimensional model of the photodissociation of phenol

(2017) Weiwei Xie et al.   JOURNAL OF CHEMICAL PHYSICS

Reactive collisions for NO(2Π) + N(4S) at temperatures relevant to the hypersonic flight regime

(2017) Otoniel Denis-Alpizar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling of NO formation in low pressure premixed flames

(2016) Nathalie Lamoureux et al.   COMBUSTION AND FLAME

Collision-induced rotational excitation in N2+(2Σg+,v=0)–Ar: Comparison of computations and experiment

(2016) Oliver T. Unke et al.   JOURNAL OF CHEMICAL PHYSICS

Kinetic Models of Oxygen Thermochemistry Based on Quasi-Classical Trajectory Analysis

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N 2 , O 2 , NO state-to-state vibrational kinetics in hypersonic boundary layers: The problem of rescaling rate coefficients to uniform vibrational ladders

(2015) I. Armenise et al.   CHEMICAL PHYSICS

An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2 + N2 dissociation reactions

(2015) Jason D. Bender et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

(2015) Andrey K. Belyaev et al.   JOURNAL OF CHEMICAL PHYSICS

Landau–Zener type surface hopping algorithms

(2014) Andrey K. Belyaev et al.   JOURNAL OF CHEMICAL PHYSICS

Computational study of collisions between O(3P) and NO(2Π) at temperatures relevant to the hypersonic flight regime

(2014) Juan Carlos Castro-Palacio et al.   JOURNAL OF CHEMICAL PHYSICS

An Adiabatic Capture Theory and Quasiclassical Trajectory Study of C + NO and O + CN on the 2A′, 2A″, and 4A″ Potential Energy Surfaces

(2012) Terry J. Frankcombe et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nonadiabatic nuclear dynamics of atomic collisions based on branching classical trajectories

(2011) Andrey K. Belyaev et al.   PHYSICAL REVIEW A

Molpro: a general-purpose quantum chemistry program package

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

A new reaction path for the C + NO reaction: dynamics on the 4A″ potential-energy surface

(2008) Erik Abrahamsson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

70 years of Landau–Teller theory for collisional energy transfer. Semiclassical three-dimensional generalizations of the classical collinear model

(2008) E. E. Nikitin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS