Zobrazeno 1 - 10
of 2 142
pro vyhledávání: '"Oosterbaan, A."'
Autor:
Arias-Martinez, Juan E., Cunha, Leonardo A., Oosterbaan, Katherine J., Lee, Joonho, Head-Gordon, Martin
We investigate the use of orbital-optimized references in conjunction with single-reference coupled-cluster theory with single and double substitutions (CCSD) for the study of core excitations and ionizations of 18 small organic molecules, without an
Externí odkaz:
http://arxiv.org/abs/2204.13056
State specific orbital optimized density functional theory (OO-DFT) methods like restricted open-shell Kohn-Sham (ROKS) can attain semiquantitative accuracy for predicting X-ray absorption spectra of closed-shell molecules. OO-DFT methods however req
Externí odkaz:
http://arxiv.org/abs/2203.13529
Autor:
Houben, R.M.A.C., Newton, J.R., van Maanen, C., Waller, A.S., Sloet van Oldruitenborgh-Oosterbaan, M.M., Heesterbeek, J.A.P.
Publikováno v:
In Preventive Veterinary Medicine July 2024 228
Publikováno v:
Gels, Vol 10, Iss 8, p 519 (2024)
A new series of flexible polyamide (PA) aerogels was synthesized using terephthaloyl chloride (TPC), 2,2′-dimethylbenzidine (DMBZ) and cross-linked with an inexpensive, commercially available tri-isocyanate (Desmodur N3300A) at polymer concentratio
Externí odkaz:
https://doaj.org/article/d9aa22c9fbd94e89b50c2d1fc0a8017b
Publikováno v:
Social Sciences and Humanities Open, Vol 10, Iss , Pp 100918- (2024)
Externí odkaz:
https://doaj.org/article/3bde198642334f11affe50effe33d2ef
Autor:
Hait, Diptarka, Haugen, Eric A., Yang, Zheyue, Oosterbaan, Katherine J., Leone, Stephen R., Head-Gordon, Martin
Publikováno v:
J. Chem. Phys. 153 (13), 134108 (2020)
State-specific orbital optimized approaches are more accurate at predicting core-level spectra than traditional linear-response protocols, but their utility had been restricted on account of the risk of `variational collapse' down to the ground state
Externí odkaz:
http://arxiv.org/abs/2006.10181
Publikováno v:
In Journal of Interprofessional Education & Practice September 2023 32
Autor:
van Ginkel, Noor, van Gennep, Erik J., Oosterbaan, Liselot, Greidanus, Joyce, Boellaard, Thierry N., Wondergem, Maurits, Vis, André N., de Reijke, Theo M., van Rhijn, Bas W.G., Mertens, Laura S.
Publikováno v:
In Clinical Genitourinary Cancer June 2023 21(3):342-348
Autor:
Mathijs J. P. Theelen, Roosmarijn E. C. Luiken, Jaap A. Wagenaar, Marianne M. Sloet van Oldruitenborgh-Oosterbaan, John W. A. Rossen, Femke J. W. C. Schaafstra, David A. van Doorn, Aldert L. Zomer
Publikováno v:
Microbiome, Vol 11, Iss 1, Pp 1-16 (2023)
Abstract Background Hospitalisation and antimicrobial treatment are common in horses and significantly impact the intestinal microbiota. Antimicrobial treatment might also increase levels of resistant bacteria in faeces, which could spread to other e
Externí odkaz:
https://doaj.org/article/541c170070bb4e9e823e634c64cb56a0