Fernández-Ramos, Antonio: search on Z-Library

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

1

Modeling the Kinetics of Bimolecular Reactions

Fernández-Ramos, Antonio, Miller, James A., Klippenstein, Stephen J., Truhlar, Donald G.

Journal:

Chemical Reviews

Year:

2006

Language:

english

File:

PDF, 849 KB

english, 2006

2

A New Algorithm for Efficient Direct Dynamics Calculations of Large-Curvature Tunneling and Its Application to Radical Reactions with 9−15 Atoms

Fernández-Ramos, Antonio, Truhlar, Donald G.

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 418 KB

english, 2005

3

Tunneling splitting in double-proton transfer: Direct diagonalization results for porphycene

Smedarchina, Zorka, Siebrand, Willem, Fernández-Ramos, Antonio

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

4

Q2DTor : A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules

Ferro-Costas, David, Cordeiro, M. Natália D.S., Truhlar, Donald G., Fernández-Ramos, Antonio

Journal:

Computer Physics Communications

Year:

2018

Language:

english

File:

PDF, 1.16 MB

english, 2018

5

Kinetics of the Methanol Reaction with OH at Interstellar, Atmospheric, and Combustion Temperatures

Gao, Lu Gem, Zheng, Jingjing, Fernandez-Ramos, Antonio, Truhlar, Donald G., Xu, Xuefei

Journal:

Journal of the American Chemical Society

Year:

2018

Language:

english

File:

PDF, 1.30 MB

english, 2018

6

Zero-Point Tunneling Splittings in Compounds with Multiple Hydrogen Bonds Calculated by the Rainbow Instanton Method

Smedarchina, Zorka, Siebrand, Willem, Fernández-Ramos, Antonio

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 806 KB

english, 2013

7

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

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

Rate constants and isotope effects for the CH3+H2 → CH4+H reaction by an approximate semiclassical initial-value representation method

Antonio Fernández-Ramos, Emilio Martı́nez-Núñez, Zorka Smedarchina, Saulo A. Vázquez

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 309 KB

english, 2001

10

Evaluation of iron status in volunteers and autologous blood donors: are there implications for an extended blood donation age?

José Antonio García-Erce, Beatriz Pérez-Nevot, Ana María Fernández-Ramos, Isidro Prat, Manuel Muñoz

Journal:

Transfusion (Wiley)

Year:

2012

Language:

english

File:

PDF, 95 KB

english, 2012

11

A direct DFT dynamics study of the photodissociation of triplet acetaldehyde

M.Natália D.S. Cordeiro, Emilio Martı́nez-Núñez, Antonio Fernández-Ramos, Saulo A. Vázquez

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 206 KB

english, 2003

12

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

13

Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment

Fernández-Ramos, Antonio

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 366 KB

english, 2013

14

Direct Dynamics Study of the Dissociation and Elimination Channels in the Thermal Decomposition of Methyl Nitrite

Fernández-Ramos, Antonio, Martínez-Núñez, Emilio, Ríos, Miguel A., Rodríguez-Otero, Jesús, Vázquez, Saulo A., Estévez, Carlos M.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 250 KB

english, 1998

15

Tunneling splitting and level ordering in a CO-stretch fundamental of the formic acid dimer

Willem Siebrand, Zorka Smedarchina, Antonio Fernández-Ramos

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 209 KB

english, 2008

16

Unraveling the Factors That Control Soft Landing of Small Silyl Ions on Fluorinated Self-Assembled Monolayers

Nogueira, Juan José, Wang, Yang, Martín, Fernando, Alcamí, Manuel, Glowacki, David R., Shalashilin, Dmitrii V., Paci, Emanuele, Fernández-Ramos, Antonio, Hase, William L., Martínez-Núñez, Emilio, Vázq

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.11 MB

english, 2014

17

Theoretical Study of the Rate Constants and Kinetic Isotope Effects of the 1,2-Hydrogen-Atom Shift of Methoxyl and Benzyloxyl Radicals Assisted by Water

Fernández-Ramos, Antonio, Zgierski, Marek Z.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 117 KB

english, 2002

18

Kinetic Isotope Effects for Concerted Multiple Proton Transfer: A Direct Dynamics Study of an Active-Site Model of Carbonic Anhydrase II

Smedarchina, Zorka, Siebrand, Willem, Fernández-Ramos, Antonio, Cui, Qiang

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 225 KB

english, 2003

19

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

20

Improved algorithm for corner-cutting tunneling calculations

Fernandez-Ramos, Antonio, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 363 KB

english, 2001

21

Theoretical Study of a Model for RNA Solvolysis Catalyzed by Large Ribozymes

Bakalova, Snezhana, Siebrand, Willem, Fernández-Ramos, Antonio, Smedarchina, Zorka, Petkov, D. D.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 118 KB

english, 2002

22

Multidimensional Hamiltonian for tunneling with position-dependent mass

Fernández-Ramos, Antonio, Smedarchina, Zorka, Siebrand, Willem

Journal:

Physical Review E

Year:

2014

Language:

english

File:

PDF, 257 KB

english, 2014

23

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

24

Direct-Dynamics Approaches to Proton Tunneling Rate Constants. A Comparative Test for Molecular Inversions and an Application to 7-Azaindole Tautomerization

Fernández-Ramos, Antonio, Smedarchina, Zorka, Siebrand, Willem, Zgierski, Marek Z., Rios, M. A.

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

25

Hydrogen Transfer vs Proton Transfer in 7-Hydroxy-quinoline·(NH 3 ) 3 : A CASSCF/CASPT2 Study

Fernández-Ramos, Antonio, Martínez-Núñez, Emilio, Vázquez, Saulo A., Ríos, Miguel A., Estévez, Carlos M., Merchán, Manuela, Serrano-Andrés, Luis

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 113 KB

english, 2007

26

Compact optical instrument for simultaneous determination of oxygen and carbon dioxide

Isabel M. Pérez de Vargas-Sansalvador, Antonio Martinez-Olmos, Alberto J. Palma, María Dolores Fernández-Ramos, Luis Fermín Capitán-Vallvey

Journal:

Microchimica Acta

Year:

2011

Language:

english

File:

PDF, 360 KB

english, 2011

27

Entanglement and co-tunneling of two equivalent protons in hydrogen bond pairs

Smedarchina, Zorka, Siebrand, Willem, Fernández-Ramos, Antonio

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 3.35 MB

english, 2018

28

Sorption and desorption of alcohol sulfate surfactants in an agricultural soil

Fernández-Ramos, Carolina, Ballesteros, Oscar, Zafra-Gómez, Alberto, Blanc-García, Rosario, Navalón, Alberto, Crovetto, Sara Isabel, Oliver-Rodríguez, Bartolomé, García-Delgado, Rafael Antonio, Vílche

Journal:

Environmental Toxicology and Chemistry

Year:

2014

Language:

english

File:

PDF, 200 KB

english, 2014

29

A comparison of two methods for direct tunneling dynamics: Hydrogen exchange in the glycolate anion as a test case

Smedarchina, Zorka, Fernandez-Ramos, Antonio, Rios, Miguel A.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 374 KB

english, 1997

30

DOIT: a program to calculate thermal rate constants and mode-specific tunneling splittings directly from quantum-chemical calculations

Zorka Smedarchina, Antonio Fernández-Ramos, Willem Siebrand

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 253 KB

english, 2001

31

Calculation of the tunneling splitting in the zero-point level and CO-stretch fundamental of the formic acid dimer

Zorka Smedarchina, Antonio Fernandez-Ramos, Willem Siebrand

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 338 KB

english, 2004

32

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

33

Dissociation of Difluoroethylenes. II. Direct Classical Trajectory Study of the HF Elimination from 1,2-Difluoroethylene

González-Vázquez, Jesús, Martínez-Núñez, Emilio, Fernández-Ramos, Antonio, Vázquez, Saulo A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 108 KB

english, 2003

34

New interpretation of ground- and excited-state tunneling splitting in 2-pyridone · 2-hydroxypyridine

Zorka Smedarchina, Willem Siebrand, Antonio Fernández-Ramos, Emilio Martı́nez-Núñez

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 273 KB

english, 2004

35

Rate constants and kinetic isotope effects for Cl+CH4→ClH+CH3: a comparison between LSC-IVR and statistical theories

Emilio Martı́nez-Núñez, Antonio Fernández-Ramos, Saulo A Vázquez, Miguel A Rı́os

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 119 KB

english, 2002

36

Dissociation of Difluoroethylenes. I. Global Potential Energy Surface, RRKM, and VTST Calculations

González-Vázquez, Jesús, Fernández-Ramos, Antonio, Martínez-Núñez, Emilio, Vázquez, Saulo A.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 264 KB

english, 2003

37

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

38

New interpretation of proton and deuteron tunneling in 2′-methylacetophenone

Fernández-Ramos, Antonio, Siebrand, Willem, Smedarchina, Zorka

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 482 KB

english, 2013

39

A Direct Classical Trajectory Study of HCl Elimination from the 193 nm Photodissociation of Vinyl Chloride

Núñez, Emilio Martínez, Fernández-Ramos, Antonio, Vázquez, Saulo A., Aoiz, F. Javier, Bañares, Luis

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 208 KB

english, 2003

40

Proton tunnelling in polyatomic molecules: A direct-dynamics instanton approach

Siebrand, Willem, Smedarchina, Zorka, Zgierski, Marek Z., Fernandez-RAMOS, Antonio

Journal:

International Reviews in Physical Chemistry

Year:

1999

Language:

english

File:

PDF, 648 KB

english, 1999

41

A comprehensive characterization of the impact of mycophenolic acid on the metabolism of Jurkat T cells

Fernández-Ramos, Ana A., Marchetti-Laurent, Catherine, Poindessous, Virginie, Antonio, Samantha, Petitgas, Céline, Ceballos-Picot, Irène, Laurent-Puig, Pierre, Bortoli, Sylvie, Loriot, Marie-Anne, Pal

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 2.52 MB

english, 2017

42

Calculation of the two-dimensional non-separable partition function for two molecular systems

Simón-Carballido, Luis, Fernández-Ramos, Antonio

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 1.86 MB

english, 2014

43

Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals

Ferro-Costas, David, Martínez-Núñez, Emilio, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique, Estévez, Carlos M., Fernández, Berta, Fernández-Ramos, Antonio, Vázquez, Saulo A.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 928 KB

english, 2018

44

Correct Interpretation of How Tunneling Proceeds at Low Temperatures in the Proton Transfer Reactions Involving Thiotropolone: A Comment

Fernández-Ramos, Antonio

Journal:

Angewandte Chemie

Year:

2013

Language:

english

File:

PDF, 272 KB

english, 2013

45

Hindered rotor tunneling splittings: an application of the two-dimensional non-separable method to benzyl alcohol and two of its fluorine derivatives

Alves, Tiago Vinicius, Simón-Carballido, Luis, Ornellas, Fernando Rei, Fernández-Ramos, Antonio

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.24 MB

english, 2016

46

Proton tunneling in calix[4]arenes: a theoretical investigation

Antonio Fernández-Ramos, Zorka Smedarchina, Fabio Pichierri

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 183 KB

english, 2001

47

Kinetic Isotope Effects in Multipath VTST: Application to a Hydrogen Abstraction Reaction

Simón-Carballido, Luis, Alves, Tiago Vinicius, Dybala-Defratyka, Agnieszka, Fernández-Ramos, Antonio

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 597 KB

english, 2016

48

Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature

Siebrand, Willem, Smedarchina, Zorka, Martínez-Núñez, Emilio, Fernández-Ramos, Antonio

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 956 KB

english, 2016

49

Product energy distributions from ethylene photodissociation at 193 nm: a DFT direct classical trajectory study

Emilio Martı́nez-Núñez, Antonio Fernández-Ramos, Angeles Peña-Gallego, Saulo A. Vázquez

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 144 KB

english, 2003

50

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

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@1delivery.pm

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