Skip to contents

Lorbach, Andreas [Author]; Maverick, Emily [Author]; Carreras, Abel [Author]; Alemany, Pere [Author]; Wu, Guang [Author]; Garcia-Garibay, Miguel A. [Author]; Bazan, Guillermo C. [Author]

A fullerene-carbene adduct as a crystalline molecular rotor : remarkable behavior of a spherically-shaped rotator

View online
Schließen

Access

... to E-book via Resolving system (Volltext ; freely accessible)

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Konstanz: KOPS Universität Konstanz, 2014
Carreras, Abel; Casanova, David

Simple evaluation of dynamic disorder effects on exciton transport

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

AIP Publishing, 2022

Published in: The Journal of Chemical Physics, 156 (2022) 4
Carreras, Abel; Casanova, David

Theory of Exciton Dynamics in Thermally Activated Delayed Fluorescence

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Wiley, 2022

Published in: ChemPhotoChem, 6 (2022) 8
Rodríguez-Jiménez, José Aarón; Carreras, Abel; Casanova, David

Small-Occupation Density Functional Correlation Energy Correction to Wave Function Approximations

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Chemical Society (ACS), 2024

Published in: Journal of Chemical Theory and Computation, 20 (2024) 3, Seite 1118-1129
Rodríguez-Jiménez, José Aarón; Carreras, Abel; Casanova, David

Spin–Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Chemical Society (ACS), 2023

Published in: The Journal of Physical Chemistry A, 127 (2023) 5, Seite 1206-1218
Rodríguez-Jiménez, José Aarón; Carreras, Abel; Casanova, David

Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

AIP Publishing, 2021

Published in: The Journal of Chemical Physics, 154 (2021) 12
Carreras, Abel; Bernuz, Efrem; Marugan, Xavier; Llunell, Miquel; Alemany, Pere

Effects of Temperature on the Shape and Symmetry of Molecules and Solids

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Wiley, 2019

Published in: Chemistry – A European Journal, 25 (2019) 3, Seite 673-691
Carreras, Abel; Uranga-Barandiaran, Olatz; Castet, Frédéric; Casanova, David

Photophysics of Molecular Aggregates from Excited State Diabatization

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Chemical Society (ACS), 2019

Published in: Journal of Chemical Theory and Computation, 15 (2019) 4, Seite 2320-2330
Sandoval-Salinas, María E.; Carreras, Abel; Casado, Juan; Casanova, David

Singlet fission in spiroconjugated dimers

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

AIP Publishing, 2019

Published in: The Journal of Chemical Physics, 150 (2019) 20
Sandoval-Salinas, María E.; Carreras, Abel; Casanova, David

Triangular graphene nanofragments: open-shell character and doping

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Royal Society of Chemistry (RSC), 2019

Published in: Physical Chemistry Chemical Physics, 21 (2019) 18, Seite 9069-9076
Ikeda, Yuji; Carreras, Abel; Seko, Atsuto; Togo, Atsushi; Tanaka, Isao

Mode decomposition based on crystallographic symmetry in the band-unfolding method

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Physical Society (APS), 2017

Published in: Physical Review B, 95 (2017) 2
Casanova, David; Alemany, Pere; Falceto, Andrés; Carreras, Abel; Alvarez, Santiago

Pseudosymmetry analysis of molecular orbitals

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Wiley, 2013

Published in: Journal of Computational Chemistry, 34 (2013) 15, Seite 1321-1331
Echeverría, Jorge; Carreras, Abel; Casanova, David; Alemany, Pere; Alvarez, Santiago

Concurrent Symmetries: The Interplay Between Local and Global Molecular Symmetries

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Wiley, 2011

Published in: Chemistry – A European Journal, 17 (2011) 1, Seite 359-367
Vaquero-Sabater, Nonia; Carreras, Abel; Orús, Román; Mayhall, Nicholas J.; Casanova, David

Physically Motivated Improvements of Variational Quantum Eigensolvers

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Chemical Society (ACS), 2024

Published in: Journal of Chemical Theory and Computation, 20 (2024) 12, Seite 5133-5144
Garcia-Beltran, Cristina; Bassols, Judit; Carreras-Badosa, Gemma; López Bermejo, Abel; Ibáñez, Lourdes; de Zegher, Francis

Raised Thyroid-Stimulating Hormone in Girls with Polycystic Ovary Syndrome: Effects of Randomized Interventions

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

S. Karger AG, 2023

Published in: Hormone Research in Paediatrics, 96 (2023) 5, Seite 458-464
Carreras, Abel; Jiang, Hanjie; Pokhilko, Pavel; Krylov, Anna I.; Zimmerman, Paul M.; Casanova, David

Calculation of spin–orbit couplings using RASCI spinless one-particle density matrices: Theory and applications

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

AIP Publishing, 2020

Published in: The Journal of Chemical Physics, 153 (2020) 21
Carreras, Abel; Conejeros, Sergio; Camón, Agustín; García, Alberto; Casañ-Pastor, Nieves; Alemany, Pere; Canadell, Enric

Charge Delocalization, Oxidation States, and Silver Mobility in the Mixed Silver–Copper Oxide AgCuO2

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Chemical Society (ACS), 2019

Published in: Inorganic Chemistry, 58 (2019) 10, Seite 7026-7035
Carreras, Abel; Fuligni, Luca; Alemany, Pere; Llunell, Miquel; Bofill, Josep Maria; Quapp, Wolfgang

Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Royal Society of Chemistry (RSC), 2019

Published in: Physical Chemistry Chemical Physics, 21 (2019) 21, Seite 11395-11404
Ikeda, Yuji; Körmann, Fritz; Dutta, Biswanath; Carreras, Abel; Seko, Atsuto; Neugebauer, Jörg; Tanaka, Isao

Temperature-dependent phonon spectra of magnetic random solid solutions

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

Springer Science and Business Media LLC, 2018

Published in: npj Computational Materials, 4 (2018) 1
Mishra, Avanish; Srivastava, Pooja; Carreras, Abel; Tanaka, Isao; Mizuseki, Hiroshi; Lee, Kwang-Ryeol; Singh, Abhishek K.

Atomistic Origin of Phase Stability in Oxygen-Functionalized MXene: A Comparative Study

View online
Schließen

Access

Close

Bookmarks

You can manage bookmarks using lists, please log in to your user account for this.

American Chemical Society (ACS), 2017

Published in: The Journal of Physical Chemistry C, 121 (2017) 34, Seite 18947-18953

You did not find what you were looking for?

Purchase suggestion
Are you missing something you need for your research? If you have any suggestions please share them here.

Interlibrary Loan
Please search and order your favorite title in the Interlibrary Loan Portal.

Search in field:

Recently searched for:

You did not find what you were looking for?

> Year of publication

Year of publication