Zobrazeno 1 - 10
of 544
pro vyhledávání: '"2D-IR spectra"'
Autor:
Borkowski, Ashley K.1 (AUTHOR), Campbell, N. Ian1 (AUTHOR), Thompson, Ward H.1 (AUTHOR) wthompson@ku.edu
Publikováno v:
Journal of Chemical Physics. 2/14/2023, Vol. 158 Issue 6, p1-14. 14p.
Autor:
Rippers, Yvonne1 (AUTHOR), Procacci, Barbara2 (AUTHOR), Hunt, Neil T.2 (AUTHOR), Horch, Marius1 (AUTHOR) marius.horch@fu-berlin.de
Publikováno v:
Catalysts (2073-4344). Sep2022, Vol. 12 Issue 9, pN.PAG-N.PAG. 20p.
Publikováno v:
Catalysts; Volume 12; Issue 9; Pages: 988
[NiFe] hydrogenases are metalloenzymes that catalyze the reversible cleavage of dihydrogen (H2), a clean future fuel. Understanding the mechanism of these biocatalysts requires spectroscopic techniques that yield insights into the structure and dynam
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7e293c427a62544364299772068de66
https://eprints.whiterose.ac.uk/190938/1/catalysts_12_00988_v2.pdf
https://eprints.whiterose.ac.uk/190938/1/catalysts_12_00988_v2.pdf
Publikováno v:
The Journal of Chemical Physics. 158:064507
A method for directly calculating the temperature derivative of two-dimensional infrared (2D-IR) spectra from simulations at a single temperature is presented. The approach is demonstrated by application to the OD stretching spectrum of isotopically
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8ecf294c1236379537d177cd16932541
https://doi.org/10.1063/5.0135627
https://doi.org/10.1063/5.0135627
Publikováno v:
Journal of Physical Chemistry B; Apr2010, Vol. 114 Issue 14, p4924-4930, 7p
Akademický článek
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The extension of the polarizable continuum model (PCM) to evaluate solvent effects on vibrational coupling is reported for both the transition dipole coupling and the Hessian matrix reconstruction (HMR) methods. A comparative analysis of the two appr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::691c1108b2a1aeb10fd82b1bed9c521e
http://hdl.handle.net/11568/205031
http://hdl.handle.net/11568/205031
Autor:
Freedman, Holly1,2,3 (AUTHOR) holly.freedman@pharm.utah.edu, Tuszynski, Jack A.4,5,6 (AUTHOR) jackt@ualberta.ca
Publikováno v:
International Journal of Molecular Sciences. Jun2024, Vol. 25 Issue 12, p6406. 23p.
Publikováno v:
BioResources, Vol 11, Iss 2, Pp 4006-4016 (2016)
The properties of wood can be improved after heat-treatment. There have been many studies dealing with mechanical properties and chemical modifications of heat-treated wood. The purpose of this paper is to provide a new analysis method, to give bette
Externí odkaz:
https://doaj.org/article/014afcf96b9840999d0beb06987d6887
Autor:
Donaldson, Paul M., Howe, Russell F., Hawkins, Alexander P., Towrie, Mike, Greetham, Gregory M.
Publikováno v:
Journal of Chemical Physics; 3/21/2023, Vol. 158 Issue 11, p1-11, 11p