Zobrazeno 1 - 7
of 7
pro vyhledávání: '"K J Jalkanen"'
Autor:
G M, Jensen, K J, Jalkanen
Publikováno v:
Journal of liposome research. 27(3)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::dc6fe6ff62655696c75815aa500f809c
https://pubmed.ncbi.nlm.nih.gov/28689479
https://pubmed.ncbi.nlm.nih.gov/28689479
Autor:
K J Jalkanen
Publikováno v:
Journal of Physics: Condensed Matter. 15:S1823-S1851
Here we present several low energy conformers of Leu-enkephalin (LeuE) calculated with the density functional theory using the Becke 3LYP hybrid functional and the 6-31G* basis set. The structures, conformational energies, vibrational frequencies, vi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0790e76da23b382ee8c713fa0daf1c13
https://doi.org/10.1088/0953-8984/15/18/315
https://doi.org/10.1088/0953-8984/15/18/315
Publikováno v:
Physical review. E, Statistical, nonlinear, and soft matter physics. 64(2 Pt 1)
Density-functional theory (DFT) calculations utilizing the Becke 3LYP hybrid functional have been carried out for N-acetyl L-alanine N'-methylamide and examined with respect to the effect of water on the structure, the vibrational frequencies, vibrat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::6ab957c6d0306ff3b546f72d5c15ba4c
https://pubmed.ncbi.nlm.nih.gov/11497618
https://pubmed.ncbi.nlm.nih.gov/11497618
Publikováno v:
Theoretical and Computational Methods in Genome Research ISBN: 9781461377085
Density functional theory (DFT) calculations have been carried out for hydrated L-alanine, L-alanyl-L-alanine and N-acetyl L-alanine N’-methylamide and examined with respect to the effect of water on the structure, the vibrational frequencies, vibr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::82a75747bff8db4307ba83bf805d0b29
https://doi.org/10.1007/978-1-4615-5903-0_19
https://doi.org/10.1007/978-1-4615-5903-0_19
Autor:
Peter Fristrup, Peter R. Lassen, Christian Johannessen, David Tanner, Per-Ola Norrby, K. J. Jalkanen, Lars Hemmingsen
Publikováno v:
Journal of Physical Chemistry A; Jul2006, Vol. 110 Issue 29, p9123-9129, 7p
Publikováno v:
Physical Chemistry Chemical Physics (PCCP); May2004, Vol. 6 Issue 9, p2434-2439, 6p
Autor:
P. J. Stephens, K. J. Jalkanen
Publikováno v:
The Journal of Chemical Physics. 91:1379-1381
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::035347cdad183b7e36b07bdb3572c3e7
https://doi.org/10.1063/1.457164
https://doi.org/10.1063/1.457164