Joaquin Espinosa-García: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Quasi-classical trajectory study of the hydrogen abstraction F + CHD3 reaction: A state-to-state dynamics analysis

Joaquín Espinosa-García

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 136 KB

english, 2008

2

State-to-state quasi-classical trajectory study of the F + CH2D2 reaction

Joaquín Espinosa-García

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 368 KB

english, 2009

3

Vibrational versus translational energies in the F + CH4 reaction: A comparison with the F + CH2D2 reaction using quasi-classical trajectory methods

Joaquín Espinosa-García

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 300 KB

english, 2010

4

Vibrational versus translational energies in the H + CCl4 reaction: A quasi-classical trajectory study

Joaquín Espinosa-García, Juan C. García-Bernaldez

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 245 KB

english, 2011

5

Thermochemistry data from kinetics results: A test of quality of the potential energy surface

Joaquín Espinosa-Garcia, Cipriano Rangel

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

2009

Language:

english

File:

PDF, 190 KB

english, 2009

6

Dual-Level Direct Dynamics Calculations of the Reaction Rates for a Jahn−Teller Reaction: Hydrogen Abstraction from CH4 or CD4 by O(3P)

Corchado, José C., Espinosa-García, Joaquín, Roberto-Neto, Orlando, Chuang, Yao-Yuan, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 303 KB

english, 1998

7

A detailed product distribution analysis of some potential energy surfaces describing the OH + CO → H + CO2 reaction

Ernesto García, José Carlos Corchado, Joaquin Espinosa-García

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 621 KB

english, 2012

8

Interpolated Algorithm for Large-Curvature Tunneling Calculations of Transmission Coefficients for Variational Transition State Theory Calculations of Reaction Rates

Fernández-Ramos, Antonio, Truhlar, Donald G., Corchado, José C., Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 51 KB

english, 2002

9

A five-dimensional quantum dynamics study of the F([sup 2]P)+CH[sub 4] reaction

Chu, Tianshu, Han, Keli, Espinosa-Garcia, Joaquin

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.31 MB

english, 2009

10

Analytical Surface for the Reaction with No Saddle-Point NH 3 + F → NH 2 + FH. Application of Variational Transition State Theory

Espinosa-García, Joaquín, Corchado, José C.

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 246 KB

english, 1997

11

Variational Transition State Calculations of the CH 2 F 2 + OH Hydrogen Abstraction Reaction

González-Lafont, Angels, Lluch, José M., Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 130 KB

english, 2001

12

Computational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH 5 Potential Energy Surface

Albu, Titus V., Espinosa-García, Joaquín, Truhlar, Donald G.

Journal:

Chemical Reviews

Year:

2007

Language:

english

File:

PDF, 598 KB

english, 2007

13

Dual-Level Reaction-Path Dynamics (the /// Approach to VTST with Semiclassical Tunneling). Application to OH + NH3 .fwdarw. H2O + NH2

Corchado, Jose C., Espinosa-Garcia, Joaquin, Hu, Wei-Ping, Rossi, Ivan, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.38 MB

english, 1995

14

Isotope effects on the dynamics properties and reaction mechanism in the Cl(2P)

Monge-Palacios, Manuel, Rangel, Cipriano, Espinosa-García, Joaquin, Fu, Hong, Yang, Minghui

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 569 KB

english, 2013

15

The hydrogen abstraction reaction O(3P) + CH4: A new analytical potential energy surface based on fit to ab initio calculations

González-Lavado, Eloisa, Corchado, Jose C., Espinosa-Garcia, Joaquin

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.73 MB

english, 2014

16

The abstraction reaction of H and C–H stretch excited CHD3: A QCT study on an ab initio based potential energy surface

Espinosa-Garcia, Joaquin, Corchado, Jose C.

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 253 KB

english, 2013

17

Quasi-Classical Trajectory Study of the Vibrational and Translational Effects on the O( 3 P) + CD 4 Reaction

Espinosa-Garcia, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

18

Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations

Corchado, Jose C., Espinosa-Garcia, Joaquin

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 591 KB

english, 2009

19

Quasi-Classical Trajectory Study of the F + CD 4 Reaction Dynamics

Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 155 KB

english, 2007

20

Theoretical Study of the Trapping of the OOH Radical by Coenzyme Q

Espinosa-García, Joaquín

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 105 KB

english, 2004

21

CO 2 Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO 2 Reaction and H + CO 2 Inelastic Collision

Corchado, Jose C., Espinosa-Garcia, Joaquin, Li, Jun, Guo, Hua

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.37 MB

english, 2013

22

Quasi-Classical Trajectory Calculations Analyzing the Reactivity and Dynamics of Asymmetric Stretch Mode Excitations of Methane in the H + CH 4 Reaction

Rangel, Cipriano, Corchado, José C., Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 320 KB

english, 2006

23

Potential Energy Surface for Asymmetrically Substituted Reactions of Type CWXYZ + A. Kinetics Study

Rangel, Cipriano, Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 69 KB

english, 2007

24

Analytical Potential Energy Surface Describing Abstraction Reactions in Asymmetrically substituted Polyatomic Systems of Type CX 3 Y + A→ Products †

Rangel, Cipriano, Espinosa-García, Joaquín

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 246 KB

english, 2006

25

Theoretical Kinetics Study of the O( 3 P) + CH 4 /CD 4 Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling

Gonzalez-Lavado, Eloisa, Corchado, Jose C., Suleimanov, Yury V., Green, William H., Espinosa-Garcia, Joaquin

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 741 KB

english, 2014

26

Importance of Quantum Effects for C−H Bond Activation Reactions

Espinosa-García, Joaquín, Corchado, José C., Truhlar, Donald G.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 172 KB

english, 1997

27

State-to-State Dynamics Analysis of the F + CHD 3 Reaction: A Quasiclassical Trajectory Study

Espinosa-García, Joaquín, Bravo, José L.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 1.22 MB

english, 2008

28

Münchnone−Alkene Cycloadditions: Deviations from the FMO Theory. Theoretical Studies in the Search of the Transition State

Avalos, Martín, Babiano, Reyes, Cabanillas, Andrés, Cintas, Pedro, Jiménez, José L., Palacios, Juan C., Aguilar, Manuel A., Corchado, José C., Espinosa-García, Joaquín

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 371 KB

english, 1996

29

On the Accuracy of an Analytical Potential Energy Surface for the CH 4 + Cl Reaction and the Quasi-Classical Trajectory Calculations for Thermal Rate Constants

Rangel, Cipriano, Espinosa-García, Joaquín, Corchado, José C.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 35 KB

english, 2005

30

Theoretical Study of the Antioxidant Activity of Vitamin E: Reactions of α-Tocopherol with the Hydroperoxy Radical

Navarrete, Marta, Rangel, Cipriano, Espinosa-García, Joaquín, Corchado, José C.

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 108 KB

english, 2005

31

Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y → products: the H + CH3Cl hydrogen abstraction reaction channel

Rangel, Cipriano, Corchado, José C., Espinosa-García, Joaquín

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.13 MB

english, 2008

32

QCT dynamics study of the reaction of hydroxyl radical and methane using a new ab initio fitted full-dimensional analytical potential energy surface

Espinosa-Garcia, Joaquin, Corchado, Jose C.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2015

Language:

english

File:

PDF, 794 KB

english, 2015

33

The hydrogen abstraction reaction H+CH[sub 4]. I. New analytical potential energy surface based on fitting to ab initio calculations

Corchado, Jose C., Bravo, Jose L., Espinosa-Garcia, Joaquin

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 943 KB

english, 2009

34

Final state-resolved mode specificity in HX + OH → X + H2O (X = F and Cl) reactions: A quasi-classical trajectory study

Li, Jun, Corchado, Jose C., Espinosa-Garcia, Joaquin, Guo, Hua

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.47 MB

english, 2015

35

Product Translational and Vibrational Distributions for the OH/OD + CH 4 /CD 4 Reactions from Quasiclassical Trajectory Calculations. Comparison with Experiment.

Espinosa-Garcia, Joaquin, Corchado, Jose C.

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 830 KB

english, 2015

36

Recollection and familiarity for words and faces: a study comparing Remember–Know judgements and the Process Dissociation Procedure

Espinosa-García, María, Vaquero, Joaquín M. M., Milliken, Bruce, Tudela, Pío

Journal:

Year:

2015

Language:

english

File:

PDF, 1.25 MB

english, 2015

37

Pair-correlated speed distributions for the OH+CH4/CD4 reactions: Further remarks on their classical trajectory calculations in a quantum spirit

Bonnet, Laurent, Corchado, José Carlos, Espinosa-Garcia, Joaquin

Journal:

Comptes Rendus Chimie

Year:

2016

Language:

english

File:

PDF, 753 KB

english, 2016

38

Kinetics and dynamics of the NH 3 + H → NH 2 + H 2 reaction using transition state methods, quasi-classical trajectories, and quantum-mechanical scattering

Corchado, Jose C., Espinosa-Garcia, Joaquin, Yang, Minghui

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 592 KB

english, 2011

39

Theoretical Study of the Pair-Correlated F + CHD 3 ( v = 0,ν 1 = 1) Reaction: Effect of CH Stretching Vibrational Excitation

Espinosa-Garcia, Joaquin, Bonnet, Laurent, Corchado, Jose C.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 4.78 MB

english, 2017

40

Simulation of the experimental imaging results for the OH + CHD 3 reaction with a simple and accurate theoretical approach

Bonnet, Laurent, Espinosa-Garcia, Joaquin

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.72 MB

english, 2017

41

Quasi-Classical Trajectory Dynamics Study of the Cl( 2 P) + C 2 H 6 → HCl(v,j) + C 2 H 5 Reaction. Comparison with Experiment

Espinosa-Garcia, Joaquin, Martinez-Nuñez, Emilio, Rangel, Cipriano

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 2.00 MB

english, 2018

42

Theoretical simulation of experimental imaging results for the isotopic H + CH4/CD4 reactions

Espinosa-Garcia, Joaquin, Bonnet, Laurent

Journal:

Theoretica Chimica Acta

Year:

2018

Language:

english

File:

PDF, 2.98 MB

english, 2018

43

State-to-state dynamics of the Cl(2P) + C2H6(ν5, ν1 = 0, 1) → HCl(v′, j′) + C2H5 hydrogen abstraction reactions

Corchado, Jose C., Chamorro, Moises G., Rangel, Cipriano, Espinosa-Garcia, Joaquin

Journal:

Theoretica Chimica Acta

Year:

2019

File:

PDF, 2.64 MB

2019

44

State-to-state dynamics of the Cl(2P) + C2H6(ν5, ν1 = 0, 1) → HCl(v′, j′) + C2H5 hydrogen abstraction reactions

Corchado, Jose C., Chamorro, Moises G., Rangel, Cipriano, Espinosa-Garcia, Joaquin

Journal:

Theoretica Chimica Acta

Year:

2019

Language:

english

File:

PDF, 2.64 MB

english, 2019

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски