Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Raul Laasner"'
Publikováno v:
Chemphyschem
An in-depth theoretical analysis of key chemical equilibria in Signal Amplification by Reversible Exchange (SABRE) is provided, employing density functional theory calculations to characterize the likely reaction network. For all reactions in the net
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4495e7c082869ffa5f543e00cce58d66
https://doi.org/10.1002/cphc.202100204
https://doi.org/10.1002/cphc.202100204
Autor:
Raul Laasner, Zijian Zhou, Warren S. Warren, Steven J. Malcolmson, Angus W. J. Logan, Thomas Theis, Roman V. Shchepin, Jacob R. Lindale, Volker Blum, Eduard Y. Chekmenev, Johannes F. P. Colell
Publikováno v:
Chem Commun (Camb)
Signal Amplification By Reversible Exchange (SABRE) is a particularly simple hyperpolarisation approach. However, compared to other hyperpolarisation methods, SABRE is more limited in substrate scope. Therefore, it is critical to understand and overc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::66dcdd9fd590230f72b5659eebdc95cb
https://doi.org/10.1039/d0cc01330g
https://doi.org/10.1039/d0cc01330g
Autor:
Ben Hourahine, William Dawson, Yingzhou Li, Murat Keçeli, Jonathan E. Moussa, Álvaro Vázquez-Mayagoitia, William P. Huhn, Jose E. Roman, Lin Lin, Jianfeng Lu, Victor Yu, Ville Havu, Volker Blum, Chao Yang, Carmen Campos, Raul Laasner, Alberto García, Weile Jia, Mathias Jacquelin
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousand
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92917d0a56e04c7e49c3dad9615ed56f
http://hdl.handle.net/10261/230343
http://hdl.handle.net/10261/230343
Autor:
Xiaochen Du, Raul Laasner, Matti Ropo, Marco Govoni, Giulia Galli, Connor Clayton, Volker Blum, Aditya Tanikanti
The discovery of new materials as well as the determination of a vast set of materials properties for science and technology is a fast growing field of research, with contributions from many groups worldwide. Materials data from individual research g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7579b0f37e2beeae99d0b4222650a4f5
Publikováno v:
ChemPhysChem. 22:1935-1935
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09bdb4cd2ccbaa32fdfd075ad9939bef
https://doi.org/10.1002/cphc.202100677
https://doi.org/10.1002/cphc.202100677
Autor:
Thomas Theis, Jin Yu, Raul Laasner, Angus W. J. Logan, Eduard Y. Chekmenev, Zijian Zhou, Johannes F. P. Colell, Roman V. Shchepin, Volker Blum, Danila A. Barskiy, Warren S. Warren
Publikováno v:
The Journal of Physical Chemistry Letters. 8:3008-3014
Parahydrogen is an inexpensive and readily available source of hyperpolarization used to enhance magnetic resonance signals by up to four orders of magnitude above thermal signals obtained at ∼10 T. A significant challenge for applications is fast
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::165ad21cf8b427988f29ea02e5ea8447
https://doi.org/10.1021/acs.jpclett.7b00987
https://doi.org/10.1021/acs.jpclett.7b00987
Autor:
Zijian, Zhou, Jin, Yu, Johannes F P, Colell, Raul, Laasner, Angus, Logan, Danila A, Barskiy, Roman V, Shchepin, Eduard Y, Chekmenev, Volker, Blum, Warren S, Warren, Thomas, Theis
Publikováno v:
The journal of physical chemistry letters. 8(13)
Parahydrogen is an inexpensive and readily available source of hyperpolarization used to enhance magnetic resonance signals by up to 4 orders of magnitude above thermal signals obtained at ~10 T. A significant challenge for applications is fast signa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::5eeb818919ab02c38ef303ea300b6b23
https://pubmed.ncbi.nlm.nih.gov/28594557
https://pubmed.ncbi.nlm.nih.gov/28594557
Autor:
Valdas Sirutkaitis, Vladimir N. Makhov, Andrey N. Vasil’ev, Sebastian Vielhauer, Sergey Markov, Raul Laasner, Rimantas Grigonis, Marco Kirm, Vitali Nagirnyi
Publikováno v:
Open Physics, Vol 10, Iss 4, Pp 1002-1008 (2012)
The analytical expressions for the three-dimensional spatial distribution of excitons and luminescence decay kinetics of wide band-gap crystals were derived taking into account the saturation effect for absorption near the centre of the incident lase
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ba42605d4ec21010570d8cb4deb52c2
https://doaj.org/article/cb181ba53b1c44d5a3fa2d10401a9fb6
https://doaj.org/article/cb181ba53b1c44d5a3fa2d10401a9fb6
Autor:
Raul Laasner
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 26(12)
The full quasiparticle band structure of CdWO4 is calculated within the single-shot GW?(G0W0) approximation using maximally localized Wannier functions, which allows one to assess the validity of the commonly used scissor operator. Calculations are p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6ffe437407c22d6db46f6afbf7ca340d
https://pubmed.ncbi.nlm.nih.gov/24599225
https://pubmed.ncbi.nlm.nih.gov/24599225
Autor:
Vitali Nagirnyi, Raul Laasner, Marco Kirm, Sebastian Vielhauer, Rimantas Grigonis, Valdas Sirutkaitis, Stephane Guizard, Andrey Vasil'ev
Publikováno v:
ECS Meeting Abstracts. :3172-3172
Nonlinear interaction of electronic excitations has been shown to play a remarkable role in luminescent material performance. Recently, it has been intensely studied in semiconductors and wide-gap scintillators. The nonlinear interaction is a cause o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::27888a7d59537c2673421917c290fa87
https://doi.org/10.1149/ma2016-02/42/3172
https://doi.org/10.1149/ma2016-02/42/3172