The kinetics of X + H2 reactions (X = C(1D), N(2D), O(1D), S(1D)) at low temperature: recent combined experimental and theoretical investigations

Statistical properties of quantum probability fluctuations in complex-forming chemical reactions

(2020) L. Bonnet et al.   JOURNAL OF CHEMICAL PHYSICS

Statistical investigations of the S(1D)+HD reaction in the quantum regime

(2020) Tomás González-Lezana et al.   CHEMICAL PHYSICS LETTERS

Theoretical Study of Barrierless Chemical Reactions Involving Nearly Elastic Rebound: The Case of S(1D) + X2, X = H, D

(2019) L. Bonnet et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental and Theoretical Study of the O(1D) + HD Reaction

(2019) Dianailys Nuñez-Reyes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The dynamics of the C(1D)+H2/D2/HD reactions at low temperature

(2018) Tomás González-Lezana et al.   JOURNAL OF CHEMICAL PHYSICS

Rate Constants and H-Atom Product Yields for the Reactions of O(1D) Atoms with Ethane and Acetylene from 50 to 296 K

(2018) Dianailys Nuñez-Reyes et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Vibrational and rotational excitation effects of the N(2D) + D2(X1Σg +) → ND(X3Σ+) + D(2S) reaction

(2018) Ziliang Zhu et al.   MOLECULAR PHYSICS

A combined theoretical and experimental investigation of the kinetics and dynamics of the O(1D) + D2 reaction at low temperature

(2018) Dianailys Nuñez-Reyes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A low temperature investigation of the gas-phase N(2D) + NO reaction. Towards a viable source of N(2D) atoms for kinetic studies in astrochemistry

(2018) Dianailys Nuñez-Reyes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Experimental and theoretical study of the collisional quenching of S(1D) by Ar

(2017) Manuel Lara et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

An experimental and theoretical investigation of the C(1D) + D2 reaction

(2017) Kevin M. Hickson et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction

(2017) Zhitao Shen et al.   Nature Communications

An Empirical Dynamical Barrier for Statistical Theory of Low-Energy Reactive S(1D) + HD(j = 0), H2(j = 0) Collisions

(2016) Tasko P. Grozdanov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

S(1D) + ortho-D2 Reaction Dynamics at Low Collision Energies: Complementary Crossed Molecular Beam Experiments and Theoretical Investigations

(2016) Manuel Lara et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Low Temperature Rate Constants for the Reactions of O(1D) with N2, O2, and Ar

(2016) Romain Grondin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum state-resolved differential cross sections for complex-forming chemical reactions: Asymmetry is the rule, symmetry the exception

(2015) Pascal Larrégaray et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum mechanical differential and integral cross sections for the C(1D) + H2(ν = 0, j = 0) → CH(ν′, j′) + H reaction

(2015) Zhitao Shen et al.   JOURNAL OF CHEMICAL PHYSICS

Ring-Polymer Molecular Dynamics for the Prediction of Low-Temperature Rates: An Investigation of the C(1D) + H2 Reaction

(2015) Kevin M. Hickson et al.   Journal of Physical Chemistry Letters

A new potential energy surface for the H2S system and dynamics study on the S(1D) + H2(X1Σg+) reaction

(2015) Jiuchuang Yuan et al.   Scientific Reports

Quantum dynamics on S(1D) + H2 reaction: effect of orientation and rotation

(2014) Diptesh Dey et al.   EUROPEAN PHYSICAL JOURNAL D

The H+ + H2reaction

(2014) Tomás González-Lezana et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2) → HX + H(X = C(1D), S(1D))

(2014) Yury V. Suleimanov et al.   JOURNAL OF CHEMICAL PHYSICS

Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system

(2014) Chunfang Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Quasiclassical Trajectory Study of the C(1D) + H2 → CH + H Reaction on a New Global ab Initio Potential Energy Surface

(2014) Ying Wu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H2 → HX + H (X = N, O)

(2014) Yongle Li et al.   Journal of Physical Chemistry Letters

Quantum dynamics of O(1D)+D2 reaction: isotope and vibrational excitation effects

(2014) G B Pradhan et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Statistical product distributions for ultracold reactions in external fields

(2014) Maykel L. González-Martínez et al.   PHYSICAL REVIEW A

The fast C(3P) + CH3OH reaction as an efficient loss process for gas-phase interstellar methanol

(2014) Robin J. Shannon et al.   RSC Advances

Photochemistry of C3Hphydrocarbons in Titan’s stratosphere revisited

(2013) E. Hébrard et al.   ASTRONOMY & ASTROPHYSICS

Quantum reaction dynamics of the C(1D) + H2(D2) → CH(D) + H(D) on a new potential energy surface

(2013)   JOURNAL OF CHEMICAL PHYSICS

Carbon dioxide photolysis from 150 to 210 nm: Singlet and triplet channel dynamics, UV-spectrum, and isotope effects

(2013) J. A. Schmidt et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Rate coefficients from quantum and quasi-classical cumulative reaction probabilities for the S(1D) + H2 reaction

(2012) P. G. Jambrina et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamics of theS(D21)+HD(j=0)Reaction at Collision Energies Approaching the Cold Regime: A Stringent Test for Theory

(2012) Manuel Lara et al.   PHYSICAL REVIEW LETTERS

Rationalizing the S(1D)+H2→SH(X2Π)+H reaction dynamics through a semi-classical capture model

(2012) P. Larregaray et al.   Computational and Theoretical Chemistry

On the role of dynamical barriers in barrierless reactions at low energies: S(1D) + H2

(2011) Manuel Lara et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: Coupled-channel calculations including Renner-Teller and Coriolis terms

(2011) Paolo Defazio et al.   JOURNAL OF CHEMICAL PHYSICS

Adiabatic and non-adiabatic quantum dynamics calculation of O(1D) + D2 → OD + D reaction

(2011) Zhaopeng Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Mean Potential Statistical Theory of the H++ D2→ HD + D+Reaction

(2011) Tasko P. Grozdanov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Quantum calculations for the S(1D)+H2reaction employing the ground adiabatic electronic state

(2011) M Hankel et al.   PHYSICA SCRIPTA

Reaching the cold regime: S(1D) + H2 and the role of long-range interactions in open shell reactive collisions

(2011) Manuel Lara et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The O(1D) + H2 (X 1Σ+, v, j) → OH(X 2Π, v′, j′) + H(2S) reaction at low collision energy: when a simple statistical description of the dynamics works

(2011) A. Rivero-Santamaría et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Observation of partial wave structures in the integral cross section of the S(1D2) + H2(j = 0) reaction

(2011) Manuel Lara et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anatomy of the S(1D) + H2 reaction: the dynamics on two new potential energy surfaces from quantum dynamics calculations

(2011) M. Hankel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Probing state-to-state reaction dynamics using H-atom Rydberg tagging time-of-flight spectroscopy

(2011) Xueming Yang   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effects of Reagent Rotation on Stereodynamics Information of the Reaction O(1

(2010) Da Kuang et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Measurement of the differential cross section of the photoinitiated reactive collision of O(D1)+D2 using only one molecular beam: A study by three dimensional velocity mapping

(2010) S. Kauczok et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum dynamics of the C(D1)+HD and C(D1)+n−D2 reactions on the ã A1′ and b̃ A1″ surfaces

(2010) Paolo Defazio et al.   JOURNAL OF CHEMICAL PHYSICS

Non-Born−Oppenheimer State-to-State Dynamics of the N(2D) + H2→ NH(X̃3Σ−) + H Reaction: Influence of the Renner−Teller Coupling†

(2010) Shi Ying Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamics of the C(1D)+H2reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (11A′ and 11A″) potential energy surfaces

(2010) Nadia Balucani et al.   MOLECULAR PHYSICS

Exact and truncated Coriolis coupling calculations for the S(1D)+HD reaction employing the ground adiabatic electronic state

(2010) Huan Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics of O(1D) + H2O and O(1D) + H2: absolute rate coefficients and O(3P) yields between 227 and 453 K

(2010) Stijn Vranckx et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kinetics and Dynamics of theS(D21)+H2→SH+HReaction at Very Low Temperatures and Collision Energies

(2010) Coralie Berteloite et al.   PHYSICAL REVIEW LETTERS

Theoretical study of the stereodynamics of the reactions O(1D)+H2, D2 and HD

(2009) Yufang Liu et al.   CHEMICAL PHYSICS

Born–Oppenheimer quantum dynamics of the C(D1)+H2 reaction on the CH2 ã A11 and b̃ B11 surfaces

(2009) Paolo Defazio et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit

(2009) Y. Z. Song et al.   JOURNAL OF CHEMICAL PHYSICS

Adiabatic and Nonadiabatic State-to-State Quantum Dynamics for O(1D) + H2(X1Σg+, υi=ji= 0) → OH(X2Π, υf,jf) + H(2S) Reaction†

(2009) Shi Ying Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Potential Energy Surface for Ground-State H2S via Scaling of the External Correlation, Comparison with Extrapolation to Complete Basis Set Limit, and Use in Reaction Dynamics

(2009) Y. Z. Song et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the dynamics of the H++D2(v=0,j=0)→HD+D+ reaction: A comparison between theory and experiment

(2008) Estela Carmona-Novillo et al.   JOURNAL OF CHEMICAL PHYSICS

Energy dependence of differential and integral cross sections for O(D1)+H2(υi=0,ji=0)→OH(υf,jf)+H reaction

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

A comparative study of the Si+O2→SiO+O reaction dynamics from quasiclassical trajectory and statistical based methods

(2008) Fabrice Dayou et al.   JOURNAL OF CHEMICAL PHYSICS

A comparison of quantum and quasiclassical statistical models for reactions of electronically excited atoms with molecular hydrogen

(2008) F. J. Aoiz et al.   JOURNAL OF CHEMICAL PHYSICS

Study of the H+O2 reaction by means of quantum mechanical and statistical approaches: The dynamics on two different potential energy surfaces

(2008) Pedro Bargueño et al.   JOURNAL OF CHEMICAL PHYSICS