Sancho-García, J. C.: search on Z-Library

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

1

Diastereoselective Synthesis of C 60 /Steroid Conjugates

Ruiz, Alberto, Coro, Julieta, Almagro, Luis, Ruiz, José A., Molero, Dolores, Maroto, Enrique E., Filippone, Salvatore, Herranz, María Ángeles, Martínez-Álvarez, Roberto, Sancho-García, Juan Carlos, Me

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.07 MB

english, 2013

2

Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes

Calbo, Joaquín, Sancho-García, Juan, Ortí, Enrique, Aragó, Juan

Journal:

Year:

2018

Language:

english

File:

PDF, 12.32 MB

english, 2018

3

Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists

Brémond, Eric, Ciofini, Ilaria, Sancho-García, Juan Carlos, Adamo, Carlo

Journal:

Accounts of Chemical Research

Year:

2016

Language:

english

File:

PDF, 3.13 MB

english, 2016

4

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

5

Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases

Bremond, Eric, Savarese, Marika, Pérez-Jiménez, Ángel José, Sancho-García, Juan Carlos, Adamo, Carlo

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 3.41 MB

english, 2017

6

sp-hybridized carbon allotrope molecular structures: An ongoing challenge for density-functional approximations

Brémond, Éric, Pérez-Jiménez, Ángel José, Adamo, Carlo, Sancho-García, Juan Carlos

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 986 KB

2019

7

Description of π-Conjugation Effects by Means of Torsional Energy Profiles

J. C. Sancho-Garcia, A. J. Perez-Jimenez

Journal:

Year:

2005

File:

PDF, 9 KB

2005

8

Assessment of density-functional models for organic molecular semiconductors: The role of Hartree–Fock exchange in charge-transfer processes

J.C. Sancho-García

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 286 KB

english, 2007

9

Conformational Analysis of 2,2′-bifuran: Correlated High-level Ab initio and DFT Results

J. C. Sancho-García, A. Karpfen

Journal:

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

Year:

2006

Language:

english

File:

PDF, 141 KB

english, 2006

10

Charge-transport properties of prototype molecular materials for organic electronics based on graphene nanoribbons

Sancho-García, J. C., Pérez-Jiménez, A. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 623 KB

english, 2009

11

Torsional potential of 1,3-butadiene: ab initio calculations

SANCHO-GARCÍA, J. c., PÉREZ-JIMÉNEZ, A. J., PÉREZ-JORDÁ, J. M., MOSCARDÓ, F.

Journal:

Molecular Physics

Year:

2001

Language:

english

File:

PDF, 634 KB

english, 2001

12

Treatment of singlet–triplet splitting of a set of phenylene ethylenes organic molecules by TD-DFT

J.C. Sancho-García

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 163 KB

english, 2007

13

Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character

Moral, M., Muccioli, L., Son, W.-J., Olivier, Y., Sancho-García, J. C.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.44 MB

english, 2015

14

Theoretical Study of Cyclic Pyrene Oligomers and Their Resemblance with Cyclic Paraphenylenes: Disclosing Structure–Property Relationships for Cyclic Nanorings

Moral, M., Pérez-Guardiola, A., San-Fabián, E., Pérez-Jiménez, A. J., Sancho-García, J. C.

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 3.23 MB

english, 2016

15

Computational Design of Thermally Activated Delayed Fluorescence Materials: The Challenges Ahead

Olivier, Yoann, Sancho-García, Juan Carlos, Muccioli, Luca, D'Avino, Gabriele, Beljonne, David

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 1.40 MB

english, 2018

16

Emerging DFT Methods and Their Importance for Challenging Molecular Systems with Orbital Degeneracy

San-Fabián,, Sancho-García,

Journal:

Year:

2019

Language:

english

File:

PDF, 373 KB

english, 2019

17

Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds

Sancho-García, J. C., Adamo, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.36 MB

english, 2013

18

Handbook of Organic Materials for Optical and (Opto)electronic Devices || Charge generationtransport in organic materials

Sancho-Garcia, J.C.

Year:

2013

Language:

english

File:

PDF, 862 KB

english, 2013

19

Communication: Accurate description of interaction energies and three-body effects in weakly bound molecular complexes by PBE-QIDH models

Pérez-Jiménez, A. J., Brémond, E., Adamo, C., Sancho-García, J. C.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 282 KB

english, 2018

20

Synthesis of Axially Substituted Tetrapyrazinoporphyrazinato Metal Complexes for Optical Limiting and Study of Their Photophysical Properties

Dini, Danilo, Hanack, Michael, Egelhaaf, Hans-Joachim, Sancho-García, Juan Carlos, Cornil, Jerome

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 244 KB

english, 2005

21

Understanding and Controlling Chemical Modifications of Rubicene for Their Envisioned Use as Molecular Organic Semiconductors

Moral, M., Pérez-Jiménez, A. J., Sancho-García, J. C.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.42 MB

english, 2017

22

A theoretical study of a strongly correlated linear H50 chain

J.C. Sancho-García

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 285 KB

english, 2011

23

Regio- and Stereocontrolled Synthesis of Oligostilbenoids: Theoretical Highlights at the Supramolecular Level

Velu, Saraswati S., Di Meo, Florent, Trouillas, Patrick, Sancho-Garcia, Juan-Carlos, Weber, Jean-Frédéric F.

Journal:

Journal of Natural Products

Year:

2013

Language:

english

File:

PDF, 563 KB

english, 2013

24

Modeling the Dynamics of Chromophores in Conjugated Polymers: The Case of Poly(2-methoxy-5-(2′-ethylhexyl)oxy 1,4-phenylene vinylene) (MEH-PPV)

De Leener, Caroline, Hennebicq, Emmanuelle, Sancho-Garcia, Juan-Carlos, Beljonne, David

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 4.19 MB

english, 2009

25

A theoretical study of the molecular structure and torsional potential of styrene

Sancho-García, J C, Pérez-Jiménez, A J

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2002

Language:

english

File:

PDF, 135 KB

english, 2002

26

Design of π-Conjugated Organic Materials for One-Dimensional Energy Transport in Nanochannels

Sancho-García, Juan Carlos, Brédas, Jean-Luc, Beljonne, David, Cornil, Jérôme, Martínez-Álvarez, Roberto, Hanack, Michael, Poulsen, Lars, Gierschner, Johannes, Mack, Hans-Georg, Egelhaaf, Hans-Joachim

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 202 KB

english, 2005

27

Electronic and optical properties of polyfluorene and fluorene-based copolymers: A quantum-chemical characterization

Cornil, J., Gueli, I., Dkhissi, A., Sancho-Garcia, J. C., Hennebicq, E., Calbert, J. P., Lemaur, V., Beljonne, D., Brédas, J. L.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 682 KB

english, 2003

28

Bis(arylene-ethynylene)- s -tetrazines: A Promising Family of n -Type Organic Semiconductors?

Moral, Mónica, Garzón, Andrés, Olivier, Yoann, Muccioli, Luca, Sancho-García, Juan Carlos, Granadino-Roldán, José M., Fernández-Gómez, Manuel

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.18 MB

english, 2015

29

ChemInform Abstract: Nonempirical Double-Hybrid Functionals: An Effective Tool for Chemists

Bremond, Eric, Ciofini, Ilaria, Sancho-Garcia, Juan Carlos, Adamo, Carlo

Journal:

Year:

2016

File:

PDF, 16 KB

2016

30

A range-separated double-hybrid functional from nonempirical constraints

Bremond, Eric, Savarese, Marika, Pérez-Jiménez, Ángel José, Sancho-García, Juan Carlos, Adamo, Carlo

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.15 MB

english, 2018

31

Is There Still Room for Parameter Free Double Hybrids? Performances of PBE0-DH and B2PLYP over Extended Benchmark Sets

Bousquet, Diane, Brémond, Eric, Sancho-García, Juan C., Ciofini, Ilaria, Adamo, Carlo

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 559 KB

english, 2013

32

Storm-induced readjustment of an embayed beach after modification by protection works

Amanda Sancho-García, Jorge Guillén, Elena Ojeda

Journal:

Geo-Marine Letters

Year:

2013

Language:

english

File:

PDF, 809 KB

english, 2013

33

Partnering dispersion corrections with modern parameter-free double-hybrid density functionals

Sancho-García, J. C., Brémond, É., Savarese, M., Pérez-Jiménez, A. J., Adamo, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 822 KB

english, 2017

34

A theoretical study of π-stacking tetracene derivatives as promising organic molecular semiconductors

J.C. Sancho-García, A.J. Pérez-Jiménez

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 539 KB

english, 2010

35

Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory

Federico Moscardó, A. J. Pérez-Jiménez, J. C. Sancho-García

Journal:

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

Year:

2009

Language:

english

File:

PDF, 370 KB

english, 2009

36

Molecular packing and charge transport parameters in crystalline organic semiconductors from first-principles calculations

Sancho-García, J. C., Pérez-Jiménez, A. J., Olivier, Y., Cornil, J.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.18 MB

english, 2010

37

Studying physisorption processes and molecular friction of cycloparaphenylene molecules on graphene nano-sized flakes: role of π···π and CH···π interactions

Perez-Guardiola, Andres, P�rez-Jim�nez, Angel Jos�, Sancho-Garcia, Juan-Carlos

Journal:

Mol. Syst. Des. Eng.

Year:

2017

Language:

english

File:

PDF, 2.37 MB

english, 2017

38

Description of C(sp 2 )−C(sp 2 ) Rotation in Butadiene by Density Functionals

Sancho-García, J. C., Pérez-Jiménez, A. J., Moscardó, F.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 82 KB

english, 2001

39

Study on the Optoelectronic and Semiconducting Properties of Conjugated Polymers Composed of Thiazolo[5,4-d]thiazole and Arene Imides Linked by Ethynylene Bridges

Moral, Mónica, Garzon, Andres, Canales-Vázquez, Jesus, Sancho-García, Juan Carlos

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.59 MB

english, 2016

40

Range-separated hybrid density functionals made simple

Brémond, Éric, Pérez-Jiménez, Ángel José, Sancho-García, Juan Carlos, Adamo, Carlo

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.31 MB

english, 2019

41

Joint Theoretical and Experimental Characterization of the Structural and Electronic Properties of Poly(dioctylfluorene- alt - N -butylphenyl diphenylamine)

Sancho-García, J. C., Foden, C. L., Grizzi, I., Greczynski, G., de Jong, M. P., Salaneck, W. R., Brédas, J. L., Cornil, J.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 146 KB

english, 2004

42

Extracting dimer structures from simulations of organic-based materials using QM/MM methods

Pérez-Jiménez, A.J., Sancho-García, J.C.

Journal:

Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.43 MB

english, 2015

43

Some questions on the exchange contribution to the effective potential of the Kohn–Sham theory

Federico Moscardó, A. J. Pérez-Jiménez, J. C. Sancho-García

Journal:

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

Year:

2009

File:

PDF, 137 KB

2009

44

Anchoring the Torsional Potential of Biphenyl at the ab Initio Level: The Role of Basis Set versus Correlation Effects

Sancho-García, J. C., Cornil, J.

Journal:

Journal of Chemical Theory and Computation

Year:

2005

Language:

english

File:

PDF, 88 KB

english, 2005

45

The diene isomerization energies dataset: A difficult test for double-hybrid density functionals?

Wykes, M., Pérez-Jiménez, A. J., Adamo, C., Sancho-García, J. C.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.17 MB

english, 2015

46

DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes

Calbo, Joaquín, Sancho-García, Juan C., Ortí, Enrique, Aragó, Juan

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 795 KB

english, 2017

47

A comparative study of modern and robust computational methods applied to -complexes of moderate size: The case of the ethene/benzenium ion complex

J.C. Sancho-García

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 210 KB

english, 2009

48

Non-parametrized functionals with empirical dispersion corrections: A happy match?

Bousquet, Diane, Brémond, Eric, Sancho-García, Juan C., Ciofini, Ilaria, Adamo, Carlo

Journal:

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

Year:

2015

Language:

english

File:

PDF, 827 KB

english, 2015

49

Systematic Improvement of Density Functionals through Parameter-Free Hybridization Schemes

Brémond, Éric, Savarese, Marika, Pérez-Jiménez, Ángel José, Sancho-García, Juan Carlos, Adamo, Carlo

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 556 KB

english, 2015

50

Unraveling the performance of dispersion-corrected functionals for the accurate description of weakly bound natural polyphenols

Di Meo, Florent, Bayach, Imene, Trouillas, Patrick, Sancho-García, Juan-Carlos

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 872 KB

english, 2015

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