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1

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

2

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

3

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

4

LSD1 regulates the balance between self-renewal and differentiation in human embryonic stem cells

Adamo, Antonio, Sesé, Borja, Boue, Stephanie, Castaño, Julio, Paramonov, Ida, Barrero, Maria J., Belmonte, Juan Carlos Izpisua

Journal:

Nature Cell Biology

Year:

2011

Language:

english

File:

PDF, 2.19 MB

english, 2011

5

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

6

Communication: Double-hybrid functionals from adiabatic-connection: The QIDH model

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

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 390 KB

english, 2014

7

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

8

Double Hybrid Functionals and the Π-System Bond Length Alternation Challenge: Rivaling Accuracy of Post-HF Methods

Wykes, Michael, Su, Neil Qiang, Xu, Xin, Adamo, Carlo, Sancho-García, Juan-Carlos

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.52 MB

english, 2015

9

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

10

LSD1 and pluripotency: A new player in the network

Adamo, Antonio, Barrero, Maria J., Izpisua Belmote, Juan Carlos

Journal:

Year:

2011

Language:

english

File:

PDF, 743 KB

english, 2011

11

Benchmarking Density-Functionals on Structural Parameters of Small/Medium-Sized Organic Molecules

Bremond, Eric, Savarese, Marika, Su, Neil Qiang, Pérez-Jiménez, Ángel José, Xu, Xin, Sancho-García, Juan-Carlos, Adamo, Carlo

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 221 KB

english, 2016

12

Importance of Orbital Optimization for Double-Hybrid Density Functionals: Application of the OO-PBE-QIDH Model for Closed- and Open-Shell Systems

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

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 340 KB

english, 2016

13

Generation of Feeder-Free Pig Induced Pluripotent Stem Cells Without Pou5f1

Montserrat, Nuria, de Oñate, Lorena, Garreta, Elena, González, Federico, Adamo, Antonio, Eguizábal, Cristina, Häfner, Sophia, Vassena, Rita, Belmonte, Juan Carlos Izpisua

Journal:

Cell Transplantation

Year:

2012

Language:

english

File:

PDF, 8.60 MB

english, 2012

14

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

15

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals

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

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 436 KB

english, 2017

16

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

17

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

18

Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C 60 ) Dimer and Isomers as Test Cases

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

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 520 KB

english, 2019

19

Nonempirical (doubleâhybrid) density functionals applied to atomic excitation energies: A systematic basis set investigation

HernÃ¡ndezâMartÃnez, Laura, BrÃ©mond, Eric, PÃ©rezâJimÃ©nez, Angel J., SanâFabiÃ¡n, Emilio, Adamo, Carlo, SanchoâGarcÃa, Juan C.

Journal:

International Journal of Quantum Chemistry

Year:

2020

File:

PDF, 1.11 MB

2020

20

Computation of covalent and noncovalent structural parameters at low computational cost: Efficiency of the DH-SVPD method

Tirri, Bernardino, Ciofini, Ilaria, Sancho-GarcÃa, Juan C., Adamo, Carlo, BrÃ©mond, Ãric

Journal:

International Journal of Quantum Chemistry

Year:

2020

File:

PDF, 1.55 MB

2020

21

Range-separated hybrid and double-hybrid density functionals: A quest for the determination of the range-separation parameter

BrÃ©mond, Ãric, PÃ©rez-JimÃ©nez, Ãngel JosÃ©, Sancho-GarcÃa, Juan Carlos, Adamo, Carlo

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 1.29 MB

2020

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