Go to main content
Go
Navigation menu
Language
Valencià
Español
English
Home
Contact
Help
Sign on to:
My RUA
Receive email updates
Edit Profile
Go
Advanced
Teaching
Institutional
Research
Journals and Proceedings
RUA
Search
Search:
All of RUA
Research
Química Cuántica
INV - QC - Artículos de Revistas
INV - QC - Capítulos de Libros
INV - QC - Comunicaciones a Congresos, Conferencias, etc.
for
Current filters:
Title
Author
Keyword
Date Issued
Document type
Language
Center, unit or service
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Keyword
Date Issued
Document type
Language
Center, unit or service
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Title
Author
Keyword
Date Issued
Document type
Language
Center, unit or service
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Start a new search
Add filters:
Use filters to refine the search results.
Title
Author
Keyword
Date Issued
Document type
Language
Center, unit or service
Equals
Contains
ID
Not Equals
Not Contains
Not ID
Results 1-6 of 6.
previous
page
1
next
page
Item hits:
Items
Access
Preview
Issue Date
Title
Author(s)
6-Apr-2023
Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states
Sandoval-Salinas, María Eugenia
;
Bernabeu-Cabañero, Raúl
;
Pérez-Jiménez, Ángel J.
;
San-Fabián, Emilio
;
Sancho-Garcia, Juan-Carlos
9-Oct-2023
Assessment of the nonempirical r2SCAN-QIDH double-hybrid density functional against large and diverse datasets
Brémond, Éric
;
Rodríguez-Mayorga, Mauricio
;
Pérez-Jiménez, Ángel J.
;
Adamo, Carlo
;
Sancho-Garcia, Juan-Carlos
14-Jul-2023
Correlation vs. exchange competition drive the singlet-triplet excited-state inversion in non-alternant hydrocarbons
Sandoval-Salinas, María Eugenia
;
Ricci, Gaetano
;
Pérez-Jiménez, Ángel J.
;
Casanova, David
;
Olivier, Yoann
;
Sancho-Garcia, Juan-Carlos
11-Sep-2023
RPA, an Accurate and Fast Method for the Computation of Static Nonlinear Optical Properties
Besalú-Sala, Pau
;
Bruneval, Fabien
;
Pérez-Jiménez, Ángel J.
;
Sancho-Garcia, Juan-Carlos
;
Rodríguez-Mayorga, Mauricio
23-Jan-2023
Excitation energies of polycylic aromatic hydrocarbons by double-hybrid functionals: Assessing the PBE0-DH and PBE-QIDH models and their range-separated versions
Sandoval-Salinas, María Eugenia
;
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
;
Adamo, Carlo
;
Sancho-Garcia, Juan-Carlos
15-Dec-2023
SOS1-RSX-QIDH: A spin-opposite-scaled range-separated-exchange quadratic-integrand double-hybrid density functional
Brémond, Éric
;
Pérez-Jiménez, Ángel J.
;
Sancho-Garcia, Juan-Carlos
;
Adamo, Carlo
Discover
Author
6
Sancho-Garcia, Juan-Carlos
3
Adamo, Carlo
3
Brémond, Éric
3
Sandoval-Salinas, María Eugenia
2
Rodríguez-Mayorga, Mauricio
.
Author -
next >
Subject
1
Computation
1
Density functional
1
Density functional theory
1
Double-hybrid functionals
1
Driving force
.
Subject -
next >
Document type
6
Article
Language
6
English
Center, unit or service
6
Universidad de Alicante. Departam...