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1

Redes Sociales y Socialización Afectiva de las Personas Jóvenes: Necesidades Docentes en Educación Secundaria Obligatoria

Calvo González, Soraya, San Fabián, José Luis

Journal:

REICE. Revista Iberoamericana sobre Calidad, Eficacia y Cambio en Educación

Year:

2018

File:

PDF, 496 KB

2018

2

[IEEE 2020 South American Colloquium on Visible Light Communications (SACVC) - Santiago, Chile (2020.6.4-2020.6.5)] 2020 South American Colloquium on Visible Light Communications (SACVC) - Maximizing Signal to Interference Noise Ratio for Massive MIMO: A Mathematical Programming Approach

Adasme, Pablo, Soto, Ismael, Juan, Enrique San, Seguel, Fabian, Firoozabadi, Ali Dehghan

Year:

2020

File:

PDF, 251 KB

2020

3

Differences between ab initio and density functional electron densities

Ester Ortiz-Henarejos, Emilio San-Fabián

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 214 KB

english, 1997

4

A study with a complete-active-space self-consistent-field plus density functional theory combination: The low-lying bound states of N2

E. San-Fabián, L. Pastor-Abia

Journal:

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

Year:

2003

Language:

english

File:

PDF, 341 KB

english, 2003

5

Computer modelling of protein structures

S. Fraga, R.S. Hodges, J.M.R. Parker, E. San-Fabian, A.Vivier Bunge

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 207 KB

english, 1988

6

Intramolecular surfaces for vicinal proton–proton coupling constants 3J HH

Díez, Ernesto, Esteban, Angel L., San Fabián, Jesús, Galache, María P., Casanueva, Jorge, Contreras, Rubén H.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 437 KB

english, 2014

7

Improvements in DFT Calculations of Spin–Spin Coupling Constants

Fabián, J. San, García de la Vega, J. M., San Fabián, E.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 737 KB

english, 2014

8

Possibility of finding reliable solid-state tight-binding parameters for the Si - N bond through quantum-chemistry calculations

San-Fabián, E., Louis, E., Martín-Moreno, L., Vergés, J. A.

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 683 KB

english, 1989

9

Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)

Clotet, A., Ricart, J. M., Rubio, J., Illas, F., San Fabián, E., Moscardó, F.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 327 KB

english, 1995

10

Assessment of DFT functionals with fluorine–fluorine coupling constants

de la Vega, J.M. García, Fabián, J. San

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 759 KB

english, 2015

11

Feeding horses with industrially manufactured pellets with fungal spores to promote nematode integrated control

Hernández, José Ángel, Arroyo, Fabián Leonardo, Suárez, José, Cazapal-Monteiro, Cristiana Filipa, Romasanta, Ángel, López-Arellano, María Eugenia, Pedreira, José, de Carvalho, Luis Manuel Madeira, Sán

Journal:

Veterinary Parasitology

Year:

2016

Language:

english

File:

PDF, 1.25 MB

english, 2016

12

The Role of Topology in Organic Molecules: Origin and Comparison of the Radical Character in Linear and Cyclic Oligoacenes and Related Oligomers

Perez-Guardiola, Andres, Sandoval-Salinas, María Eugenia, Casanova, David, San Fabián, Emilio, Pérez-Jiménez, Ángel J. José, Sancho-Garcia, Juan-Carlos

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.56 MB

english, 2018

13

Multimode – Coreless – Multimode Fiber-based Sensors: Theoretical and Experimental Study

San Fabian, Noe, Socorro, Abian Bentor, Del Villar, Ignacio, Diaz, Silvia, Matias, Ignacio R.

Journal:

Journal of Lightwave Technology

Year:

2019

Language:

english

File:

PDF, 719 KB

english, 2019

14

Electron enrichment of zigzag edges of armchair–oriented graphene nano–ribbons increases their stability and induces pinning of Fermi level

Louis, E., San-Fabián, E., Chiappe, G., Vergés, J.A.

Journal:

Year:

2019

Language:

english

File:

PDF, 1.31 MB

english, 2019

15

Cortinarius section Thaumasti in South American Nothofagaceae forests

Liimatainen, Kare, Niskanen, Tuula, San-Fabian, Beatriz, Mujic, Alija B., Peintner, Ursula, Dresch, Philipp, Furci, Giuliana, Nouhra, Eduardo, Matheny, P. Brandon, Smith, Matthew E.

Journal:

Year:

2020

File:

PDF, 3.15 MB

2020

16

Carbonyl 17O Chemical Shift in the Proximity of a Methyl Group in Amides: an Experimental and Theoretical Study

Rubén H. Contreras, Rodolfo R. Biekofsky, Angel L. Esteban, Ernesto Diez, Jesus San Fabian

Journal:

Magnetic Resonance in Chemistry

Year:

1996

Language:

english

File:

PDF, 547 KB

english, 1996

17

Density functional calculations on Jahn-Teller effect of tetrachloromethane cation

J. M. Garcia de la Vega, B. Miguel, E. San Fabian

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 169 KB

english, 1997

18

Effect of the substituents on the conformational behavior of five-membered rings: Application to the cis- and trans-2,5-dimethoxytetrahydrofuran

Ernesto Diez, Jesús Palma, Jesús San-Fabián, Joaquin Guilleme, Angel L. Esteban, Maria P. Galache

Journal:

Journal of Computational Chemistry

Year:

1988

Language:

english

File:

PDF, 991 KB

english, 1988

19

Long-Range proton-proton coupling constants. I. Propanic coupling involving a methyl group 4JMeH

Angel L. Esteban, Maria P. Galache, Francisco Mora, Ernesto Diez, Jesus San Fabian

Journal:

Journal of Computational Chemistry

Year:

1989

Language:

english

File:

PDF, 734 KB

english, 1989

20

Prediction of the secondary structure and functional sites of major histocompatibility complex molecules

S. Fraga, E. San-Fabian, S. Thornton, Bhagirath Singh

Journal:

Journal of Molecular Recognition

Year:

1990

Language:

english

File:

PDF, 936 KB

english, 1990

21

On the unusual 2J coupling dependence on syn/anti CHO conformation in 5-X-furan-2-carboxaldehydes

Carlos Pérez, Reynier Suardíaz, Pedro J. Ortiz, Rachel Crespo-Otero, Gloria M. Bonetto, José A. Gavín, José M. García de la Vega, Jesús San Fabián, Rubén H. Contreras

Journal:

Magnetic Resonance in Chemistry

Year:

2008

Language:

english

File:

PDF, 123 KB

english, 2008

22

Solvent Effects on Oxygen-17 Chemical Shifts in Amides. Quantitative Linear Solvation Shift Relationships

Ernesto Dı&amp, #x0301, ez, Jesús San Fabián, Ioannis P. Gerothanassis, Angel L. Esteban, José-Luis M. Abboud, Ruben H. Contreras, Dora G. de Kowalewski

Journal:

Journal of Magnetic Resonance

Year:

1997

Language:

english

File:

PDF, 199 KB

english, 1997

23

Vicinal Fluorine–Proton Coupling Constants: II. Individual Substituent Effects

J. San Fabián, J. Guilleme, E. Dı&amp, #x0301, ez

Journal:

Journal of Magnetic Resonance

Year:

1998

Language:

english

File:

PDF, 190 KB

english, 1998

24

Solvent Effects on Oxygen-17 Chemical Shifts in Methyl Formate: Linear Solvation Shift Relationships

Dora G. de Kowalewski, Valdemar J. Kowalewski, Ruben H. Contreras, Ernesto Dı&amp, #x0301, ez, Jorge Casanueva, Jesús San Fabián, Angel L. Esteban, Maria P. Galache

Journal:

Journal of Magnetic Resonance

Year:

2001

Language:

english

File:

PDF, 100 KB

english, 2001

25

Vicinal proton—proton coupling constants. Basis set dependence in SCF ab initio calculations

Jesús San-Fabián, Joaquín Guilleme, Ernesto Díez, Paolo Lazzeretti, Massimo Malagoli, Riccardo Zanasi

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 608 KB

english, 1993

26

A simple, reliable and efficient scheme for automatic numerical integration

JoséM. Pérez-Jordá, Emilio San-Fabián, Federico Moscardó

Journal:

Computer Physics Communications

Year:

1992

Language:

english

File:

PDF, 888 KB

english, 1992

27

NMR study of tetrahydrofuran oriented in a nematic phase

A.L. Esteban, M.P. Galache, E. Diez, J. San Fabian, J. Guilleme

Journal:

Journal of Molecular Structure

Year:

1986

Language:

english

File:

PDF, 228 KB

english, 1986

28

Jahn-Teller effect and dissociation from the ground state of CF4+

J.M.García de la Vega, E. San Fabián

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 737 KB

english, 1991

29

Vicinal fluorine-proton coupling constants. Ab initio calculations of angular dependence and substituent effects

J. San Fabián, J. Guilleme

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 908 KB

english, 1996

30

Theoretical Karplus relationships for vicinal coupling constants around χ1 in Valine

Reynier Suardíaz, Carlos Pérez, José M. García de la Vega, Jesús San Fabián, Rubén H. Contreras

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 267 KB

english, 2007

31

Spin–spin coupling constants in ethylene: equilibrium values

J. San Fabián, J. Casanueva, E. Dı́ez, A.L. Esteban

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 184 KB

english, 2002

32

On the application of the Kohn–Sham theory to the calculation of potential energy curves

Federico Moscardó, A.J. Pérez-Jiménez, J.C. Sancho-Garcı́a, Emilio San Fabián

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 118 KB

english, 1998

33

Vicinal proton–proton coupling constants: MCSCF ab initio calculations of ethane

J. Guilleme, J. San Fabián, J. Casanueva, E. Dı́ez

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 119 KB

english, 1999

34

NMR spin–spin coupling constants in water molecule: equilibrium and rovibrational values

J. Casanueva, J. San Fabián, E. Dı́ez, A.L. Esteban

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 99 KB

english, 2001

35

Magnetism in hydro- and dehydrogenated benzene

J. A. Vergés, E. San-Fabián, L. Pastor-Abia, G. Chiappe, E. Louis

Journal:

physica status solidi (c)

Year:

2009

Language:

english

File:

PDF, 226 KB

english, 2009

36

DFT calculations of correlation energies for excited electronic states using MCSCF wave functions

E. San-Fabián, L. Pastor-Abia

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 104 KB

english, 2003

37

Effects of methods and basis set on ab initio calculations of electronic transport through hydrogenated Pt nanocontacts

Y. García, E. San-fabián, E. Louis, J. A. Vergés

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 211 KB

english, 2008

38

NMR spin–spin coupling constants and hyperconjugative interactions

R. H. Contreras, R. Suardíaz, C. Pérez, R. Crespo-Otero, J. San Fabián, J. M. García de la Vega

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 576 KB

english, 2010

39

Dynamical analysis of correlated wavefunctions

Federico Moscardó, Emilio San-Fabián

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 455 KB

english, 1986

40

Estimation of minima in 1A1 states of the ozone molecule

Federico Moscardó, Ramón Andarias, Emilio San-Fabián

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 486 KB

english, 1988

41

Atomic energy levels from configuration interaction calculations with relativistic corrections

S. Fraga, E. San Fabian, J. A. Sordo, M. Campillo, J. D. Climenhaga, M. Klobukowski

Journal:

International Journal of Quantum Chemistry

Year:

1989

Language:

english

File:

PDF, 307 KB

english, 1989

42

A density functional for the correlation energy, deduced in the framework of the correlation factor approach

Federico Moscardó, Emilio San-Fabián

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 446 KB

english, 1991

43

Applicability to atoms of a large set of correlation energy functinals

E. San fabián, F. Moscardó, J. M. Pérez-jordá

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 494 KB

english, 1994

44

Symmetry breaking and its influence on the correlation energy for CF and CF ions

J. M. Garcia de la vega, E. San fabian

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 545 KB

english, 1994

45

Covalent-ionic nature of the potential energy surface of the Li-CO2complex

Federico Moscardó, Emilio San -Fabián

Journal:

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

Year:

1986

Language:

english

File:

PDF, 262 KB

english, 1986

46

Relative stability of the2A1gand2Egstates of the C2H6+ion

Federico Moscardó, Miguel Paniagua, Emilio San-Fabián

Journal:

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

Year:

1979

Language:

english

File:

PDF, 258 KB

english, 1979

47

Theoretical study of the ethane ionization spectra within the correlation hole model

Federico Moscardó, Miguel Paniagua, Emilio San-Fabián

Journal:

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

Year:

1979

Language:

english

File:

PDF, 286 KB

english, 1979

48

On the accuracy of correlation energy calculated by the correlation factor method: first- and second-row atoms

Emilio San-Fabián, José Pérez-Jordá, Federico Moscardó

Journal:

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

Year:

1990

Language:

english

File:

PDF, 258 KB

english, 1990

49

Theoretical study of the ethane ionization spectra within the correlation hole model

Federico Moscardó, Miguel Paniagua, Emilio San-Fabián

Journal:

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

Year:

1979

Language:

english

File:

PDF, 286 KB

english, 1979

50

Correlation factor approach to the correlation energy functional

L. Pastor-Abia, A. Pérez-Jiménez, J. M. Pérez-Jordá, J. C. Sancho-García, E. San-Fabián, F. Moscardó

Journal:

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

Year:

2004

Language:

english

File:

PDF, 390 KB

english, 2004

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