Lista de obras - Shi-Ying Lin - Dominio Público Uruguay

A new ab initio potential energy surface of LiClH (1A') system and quantum dynamics calculation for Li + HCl (v = 0, j = 0-2) → LiCl + H reaction

artículo científico publicado en 2017

A new ab initio potential-energy surface of HO2(X2A″) and quantum studies of HO2 vibrational spectrum and rate constants for the H+O2↔O+OH reactions

artículo científico publicado en 2005

A wave packet based statistical approach to complex-forming reactions

artículo científico publicado en 2004

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

scientific article published on 01 January 2008

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

artículo científico publicado en 2009

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

article

An ab initio global potential-energy surface for NH[sub 2](A[sup 2]A[sup ʹ]) and vibrational spectrum of the Renner–Teller A[sup 2]A[sup ʹ]-X[sup 2]A[sup ʺ] system

artículo científico publicado en 2009

Differential and Integral Cross Sections for the H + O2→ OH + O Combustion Reaction

scientific article published on 05 June 2007

Differential and Integral Cross Sections of the N(2D) + H2→ NH + H Reaction from Exact Quantum and Quasi-Classical Trajectory Calculations

artículo científico publicado en 2007

Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations

scientific article published on 03 March 2009

Energy dependence of differential and integral cross sections for O((1)D)+H(2)(upsilon(i)=0,j(i)=0)-->OH(upsilon(f),j(f))+H reaction.

artículo científico publicado en 2008

Exact quantum dynamics of N(D2)+H2→NH+H reaction: Cross-sections, rate constants, and dependence on reactant rotation

scientific article published on 01 January 2006

Full-dimensional quantum dynamics of A-state photodissociation of ammonia: absorption spectra.

artículo científico publicado en 2008

Fully Coriolis-Coupled Quantum Studies of the H + O2(υi= 0−2,ji= 0,1) → OH + O Reaction on an Accurate Potential Energy Surface: Integral Cross Sections and Rate Constants

artículo científico publicado en 2008

NH(X3Σ)+H/D(S2)→H(S2)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model

artículo científico publicado en 2009

NONADIABATIC EFFECTS IN FEMTOSECOND PHOTOIONIZATION OF NaI MOLECULE

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

article

Nonadiabatic Dynamics ofÃ-State Photodissociation of Ammonia: A Four-Dimensional Wave Packet Study†

article

Nonstatistical behavior of reactive scattering in the (18)O+(32)O(2) isotope exchange reaction

artículo científico publicado en 2007

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

artículo científico publicado en 2009

Quantum Dynamics Calculations of Na (32S, 32P) + HF → NaF + H Reactions

artículo científico publicado en 2019

Quantum Dynamics of the H + O2→ O + OH Reaction on an Accurate ab Initio Potential Energy Surface

article

Quantum Mechanical Rate Constants for H + O2↔ O + OH and H + O2→ HO2Reactions†

artículo científico publicado en 2006

Quantum Statistical Study of O + O2Isotopic Exchange Reactions: Cross Sections and Rate Constants†

scientific article published on 01 April 2006

Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem.

artículo científico publicado en 2007

Reactions of C(1D) with H2 and its deuterated isotopomers, a wave packet study

scientific article published on 01 July 2004

Resonances of CH2(ãA11) and their roles in unimolecular and bimolecular reactions

artículo científico publicado en 2005

State-to-State Dynamics of H + O2Reaction, Evidence for Nonstatistical Behavior

artículo científico publicado en 2008

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

artículo científico publicado en 2010

Lista de obras de Shi-Ying Lin

A new ab initio potential energy surface of LiClH (1A') system and quantum dynamics calculation for Li + HCl (v = 0, j = 0-2) → LiCl + H reaction

A new ab initio potential-energy surface of HO2(X2A″) and quantum studies of HO2 vibrational spectrum and rate constants for the H+O2↔O+OH reactions

A wave packet based statistical approach to complex-forming reactions

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

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

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

An ab initio global potential-energy surface for NH[sub 2](A[sup 2]A[sup ʹ]) and vibrational spectrum of the Renner–Teller A[sup 2]A[sup ʹ]-X[sup 2]A[sup ʺ] system

Differential and Integral Cross Sections for the H + O2→ OH + O Combustion Reaction

Differential and Integral Cross Sections of the N(2D) + H2→ NH + H Reaction from Exact Quantum and Quasi-Classical Trajectory Calculations

Effects of reactant rotational excitation on H + O2→ OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations

Energy dependence of differential and integral cross sections for O((1)D)+H(2)(upsilon(i)=0,j(i)=0)-->OH(upsilon(f),j(f))+H reaction.

Exact quantum dynamics of N(D2)+H2→NH+H reaction: Cross-sections, rate constants, and dependence on reactant rotation

Full-dimensional quantum dynamics of A-state photodissociation of ammonia: absorption spectra.

Fully Coriolis-Coupled Quantum Studies of the H + O2(υi= 0−2,ji= 0,1) → OH + O Reaction on an Accurate Potential Energy Surface: Integral Cross Sections and Rate Constants

NH(X3Σ)+H/D(S2)→H(S2)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model

NONADIABATIC EFFECTS IN FEMTOSECOND PHOTOIONIZATION OF NaI MOLECULE

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

Nonadiabatic Dynamics ofÃ-State Photodissociation of Ammonia: A Four-Dimensional Wave Packet Study†

Nonstatistical behavior of reactive scattering in the (18)O+(32)O(2) isotope exchange reaction

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

Quantum Dynamics Calculations of Na (32S, 32P) + HF → NaF + H Reactions

Quantum Dynamics of the H + O2→ O + OH Reaction on an Accurate ab Initio Potential Energy Surface

Quantum Mechanical Rate Constants for H + O2↔ O + OH and H + O2→ HO2Reactions†

Quantum Statistical Study of O + O2Isotopic Exchange Reactions: Cross Sections and Rate Constants†

Rate constant for OH(2 Pi)+O(3P)-->H(2S)+O2(3 Sigma g-) reaction on an improved ab initio potential energy surface and implications for the interstellar oxygen problem.

Reactions of C(1D) with H2 and its deuterated isotopomers, a wave packet study

Resonances of CH2(ãA11) and their roles in unimolecular and bimolecular reactions

State-to-State Dynamics of H + O2Reaction, Evidence for Nonstatistical Behavior

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