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1.
Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism.
Phys Chem Chem Phys
; 26(12): 9179-9196, 2024 Mar 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-37921593
2.
Workplace sexual and gender-based harassment in Denmark: a comparison of the self-labelling and behavioural list method.
Scand J Public Health
; : 14034948241228158, 2024 Feb 19.
Artículo
en Inglés
| MEDLINE | ID: mdl-38372071
3.
'We had conversations we wouldn't have had otherwise'-Exploring home-dwelling people with dementia and family members' experiences of deliberating on ethical issues in a literature-based intervention.
J Clin Nurs
; 33(7): 2719-2731, 2024 Jul.
Artículo
en Inglés
| MEDLINE | ID: mdl-38528439
4.
Linear response properties of solvated systems: a computational study.
Phys Chem Chem Phys
; 24(45): 27866-27878, 2022 Nov 23.
Artículo
en Inglés
| MEDLINE | ID: mdl-36367017
5.
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
J Chem Phys
; 155(8): 084801, 2021 Aug 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-34470363
6.
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
J Chem Phys
; 152(18): 184103, 2020 May 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-32414265
7.
A genome-wide association meta-analysis of diarrhoeal disease in young children identifies FUT2 locus and provides plausible biological pathways.
Hum Mol Genet
; 25(18): 4127-4142, 2016 09 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-27559109
8.
Efficient Protocol for Computing MCD Spectra in a Broad Frequency Range Combining Resonant and Damped CC2 Quadratic Response Theory.
J Chem Theory Comput
; 19(17): 5977-5987, 2023 Sep 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-37650779
9.
TURBOMOLE: Today and Tomorrow.
J Chem Theory Comput
; 19(20): 6859-6890, 2023 Oct 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37382508
10.
Probing Molecular Chirality of Ground and Electronically Excited States in the UV-vis and X-ray Regimes: An EOM-CCSD Study.
J Chem Theory Comput
; 18(3): 1748-1764, 2022 Mar 08.
Artículo
en Inglés
| MEDLINE | ID: mdl-35187935
11.
Cherry-Picking Resolvents: Recovering the Valence Contribution in X-ray Two-Photon Absorption within the Core-Valence-Separated Equation-of-Motion Coupled-Cluster Response Theory.
J Chem Theory Comput
; 18(10): 6189-6202, 2022 Oct 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-36084326
12.
Designing a conversational agent to promote teamwork and collaborative practices using design thinking: An explorative study on user experiences.
Front Psychol
; 13: 903715, 2022.
Artículo
en Inglés
| MEDLINE | ID: mdl-36304869
13.
Motor Skills and Exercise Capacity Are Associated with Objective Measures of Cognitive Functions and Academic Performance in Preadolescent Children.
PLoS One
; 11(8): e0161960, 2016.
Artículo
en Inglés
| MEDLINE | ID: mdl-27560512
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