Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Ema López, Ignacio de"'
Autor:
Botella, María, Ema López, Ignacio de, San Fabián Maroto, Jesús, García de la Vega, José Manuel
Publikováno v:
Biblos-e Archivo. Repositorio Institucional de la UAM
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The dependence of the vicinal spin–spin coupling constants on the torsion side chain angle χ1 through the Karplus equations is considered for the study of the structure of Asp amino acid residues. Experimental and theoretical, obtained with densit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::6f047c168eb3b6c77ebaeae121133a6a
https://hdl.handle.net/10486/703605
https://hdl.handle.net/10486/703605
Autor:
Kumar, Anmol, López Fernández, Rafael, Martínez, Frank, Ramírez Moreno, Guillermo, Ema López, Ignacio de, Zorrilla, David, Yeole, Sachin D., Gadre, Shridhar R.
Publikováno v:
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
instname
A new version of the DAMQT package specially developed for large systems is reported. The graphical part has been entirely redesigned, using new OpenGL libraries (versions 3.3 or higher) for 3D display. Several 2D plotters and 3D viewers can be launc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44060c587aede2e6e3704aaae672f280
http://hdl.handle.net/10486/703608
http://hdl.handle.net/10486/703608
Autor:
Ema López, Ignacio de, Ramírez Moreno, Guillermo, López Fernández, Rafael, García de la Vega, José Manuel
Publikováno v:
Computation; Volume 10; Issue 5; Pages: 65
A new approach for basis set generation is reported and tested in helium atom and dimer. The basis sets thus computed, named sigma, range from DZ to 5Z and consist of the same composition as Dunning basis sets but with a different treatment of contra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9eeb8a8a34cc3366ec4d65c877e12f95
https://doi.org/10.3390/computation10050065
https://doi.org/10.3390/computation10050065
