Rubén Meana-Pañeda: search on Z-Library

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1

Chloroform as a Hydrogen Atom Donor in Barton Reductive Decarboxylation Reactions

Ho, Junming, Zheng, Jingjing, Meana-Pañeda, Rubén, Truhlar, Donald G., Ko, Eun Jung, Savage, G. Paul, Williams, Craig M., Coote, Michelle L., Tsanaktsidis, John

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 582 KB

english, 2013

2

Multi-path variational transition state theory for chiral molecules: the site-dependent kinetics for abstraction of hydrogen from 2-butanol by hydroperoxyl radical, analysis of hydrogen bonding in the transition state, and dramatic temperature dependence of the activation energy

Bao, Junwei Lucas, Meana-Pañeda, Rubén, Truhlar, Donald G.

Journal:

Chemical Science

Year:

2015

Language:

english

File:

PDF, 15.28 MB

english, 2015

3

Tunneling and Conformational Flexibility Play Critical Roles in the Isomerization Mechanism of Vitamin D

Meana-Pañeda, Rubén, Fernández-Ramos, Antonio

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 559 KB

english, 2012

4

Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited 2 Σ + state of OH by molecular hydrogen

Shu, Yinan, Kryven, Joanna, Sampaio de Oliveira-Filho, Antonio Gustavo, Zhang, Linyao, Song, Guo-Liang, Li, Shaohong L., Meana-Pañeda, Rubén, Fu, Bina, Bowman, Joel M., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 13.13 MB

english, 2019

5

Symmetry numbers and chemical reaction rates

Antonio Fernández-Ramos, Benjamin A. Ellingson, Rubén Meana-Pañeda, Jorge M. C. Marques, Donald G. Truhlar

Journal:

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

Year:

2007

Language:

english

File:

PDF, 285 KB

english, 2007

6

A quasiclassical trajectory study of the N 2 ( X 1 Σ) + O( 3P ) → NO( X 2 Π) + N( 4S ) reaction

Lin, Wei, Meana-Pañeda, Rubén, Varga, Zoltan, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 7.78 MB

english, 2016

7

Mechanisms of Double Proton Transfer. Theory and Applications

Smedarchina, Zorka, Siebrand, Willem, Fernandez-Ramos, Antonio, Meana-Paneda, Ruben

Journal:

Zeitschrift für Physikalische Chemie

Year:

2008

Language:

english

File:

PDF, 1.62 MB

english, 2008

8

Anharmonicity of Coupled Torsions: The Extended Two-Dimensional Torsion Method and its Use to Assess More Approximate Methods

Simon-Carballido, Luis, Bao, Junwei Lucas, Alves, Tiago Vinicius, Meana-Pañeda, Rubén, Truhlar, Donald G., Fernandez-Ramos, Antonio

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 2.18 MB

english, 2017

9

New Pathways for Formation of Acids and Carbonyl Products in Low-Temperature Oxidation: The Korcek Decomposition of γ-Ketohydroperoxides

Jalan, Amrit, Alecu, Ionut M., Meana-Pañeda, Rubén, Aguilera-Iparraguirre, Jorge, Yang, Ke R., Merchant, Shamel S., Truhlar, Donald G., Green, William H.

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 4.04 MB

english, 2013

10

Potential energy surface of triplet N 2 O 2

Varga, Zoltan, Meana-Pañeda, Rubén, Song, Guoliang, Paukku, Yuliya, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.81 MB

english, 2016

11

A Convergent Approach to the Dioxaadamantane Core of (±)-Tetrodotoxin

Lago-Santomé, Hugo, Meana-Pañeda, Rubén, Alonso, Ricardo

Journal:

Journal of Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 529 KB

english, 2014

12

Direct-Dynamics VTST Study of the [1,7] Hydrogen Shift in 7-Methylocta-1,3(Z),5(Z)-triene. A Model System for the Hydrogen Transfer Reaction in Previtamin D 3

Mousavipour, S. Hosein, Fernández-Ramos, Antonio, Meana-Pañeda, Rubén, Martínez-Núñez, Emilio, Vázquez, Saulo A., Ríos, Miguel A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 207 KB

english, 2007

13

Correction to Tunneling and Conformational Flexibility Play Critical Roles in the Isomerization Mechanism of Vitamin D

Meana-Pañeda, Rubén, Fernández-Ramos, Antonio

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 136 KB

english, 2012

14

MSTor version 2013: A new version of the computer code for the multi-structural torsional anharmonicity, now with a coupled torsional potential

Zheng, Jingjing, Meana-Pañeda, Rubén, Truhlar, Donald G.

Journal:

Computer Physics Communications

Year:

2013

Language:

english

File:

PDF, 319 KB

english, 2013

15

Atomic Oxygen Recombination at Surface Defects on Reconstructed (0001) α-Quartz Exposed to Atomic and Molecular Oxygen

Meana-Pañeda, Rubén, Paukku, Yuliya, Duanmu, Kaining, Norman, Paul, Schwartzentruber, Thomas E., Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 6.85 MB

english, 2015

16

The Structure of Silica Surfaces Exposed to Atomic Oxygen

Norman, Paul, Schwartzentruber, Thomas E., Leverentz, Hannah, Luo, Sijie, Meana-Pañeda, Rubén, Paukku, Yuliya, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.14 MB

english, 2013

17

Computational Kinetics by Variational Transition-State Theory with Semiclassical Multidimensional Tunneling: Direct Dynamics Rate Constants for the Abstraction of H from CH 3 OH by Triplet Oxygen Atoms

Meana-Pañeda, Rubén, Xu, Xuefei, Ma, He, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.67 MB

english, 2017

18

Including Tunneling in Non-Born–Oppenheimer Simulations

Zheng, Jingjing, Meana-Pañeda, Rubén, Truhlar, Donald G.

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

19

Prediction of Experimentally Unavailable Product Branching Ratios for Biofuel Combustion: The Role of Anharmonicity in the Reaction of Isobutanol with OH

Zheng, Jingjing, Meana-Pañeda, Rubén, Truhlar, Donald G.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 1.87 MB

english, 2014

20

Army ants tunneling for classical simulations

Zheng, Jingjing, Xu, Xuefei, Meana-Pañeda, Rubén, Truhlar, Donald G.

Journal:

Chemical Science

Year:

2014

Language:

english

File:

PDF, 779 KB

english, 2014

21

Accounting for conformational flexibility and torsional anharmonicity in the H + CH3CH2OH hydrogen abstraction reactions: A multi-path variational transition state theory study

Meana-Pañeda, Rubén, Fernández-Ramos, Antonio

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

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