Zobrazeno 1 - 10
of 244
pro vyhledávání: '"estructura molecular"'
Autor:
Thomas Tom, Eloi Ros, Julian López-Vidrier, José Miguel Asensi, Pablo Ortega, Joaquim Puigdollers, Joan Bertomeu, Cristobal Voz
Publikováno v:
The Journal of Physical Chemistry Letters. 14:4322-4326
Poly(amidoamine) (PAMAM) dendrimers are used to modify the interface of metal-semiconductor junctions. The large number of protonated amines contributes to the formation of a dipole layer, which finally serves to form electron selective contacts in s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ca149b2213b939fda83fa95c5370c99
https://doi.org/10.1021/acs.jpclett.3c00643
https://doi.org/10.1021/acs.jpclett.3c00643
Publikováno v:
Compounds; Volume 2; Issue 4; Pages: 252-266
A conformational analysis has been carried out for monoprotonated, unprotonated and deprotonated glycine dimers in the gas phase and an aqueous solution. MP2/6-311++(d,p), B3LYP/6-311++(d,p) and M06/6-311++(d,p) optimizations were performed for more
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::931aa78d2d2e26a924a1bebc25dacab0
https://doi.org/10.3390/compounds2040021
https://doi.org/10.3390/compounds2040021
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
Producción Científica
In the present work, we report the first rotational study of N-acetylgalactosamine, a cancer-associated sugar derivative, by means of high-resolution rotational spectroscopy. Two different conformers have been conclusivel
In the present work, we report the first rotational study of N-acetylgalactosamine, a cancer-associated sugar derivative, by means of high-resolution rotational spectroscopy. Two different conformers have been conclusivel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::270a1001335c0442ead24fa2bc1a4953
https://doi.org/10.1021/acs.jpca.2c04595
https://doi.org/10.1021/acs.jpca.2c04595
Publikováno v:
Biomédica: revista del Instituto Nacional de Salud, Vol 37, Iss 1Sup, Pp 121-132 (2017)
Introducción. El virus del Zika (ZIKV) es un flavivirus con envoltura, transmitido a los seres humanos principalmente por el vector Aedes aegypti. La infección por ZIKV se ha asociado con un gran neurotropismo y con efectos neuropáticos, como el s
Externí odkaz:
https://doaj.org/article/9fd36d2949c04c199eb94df4156b2df5
Autor:
Juan C. Castro, J. Dylan Maddox, Segundo L. Estela, Hicler N. Rodríguez, María Z. Casuso, Jae D. Paredes, Marianela Cobos
Publikováno v:
Acta Biológica Colombiana, Vol 24, Iss 2 (2019)
Las microalgas son microorganismos fotosintéticos con gran potencial para abastecer las demandas energéticas mundiales. Sin embargo, los limitados conocimientos que se tienen de estos organismos, en particular a nivel molecular de los procesos meta
Externí odkaz:
https://doaj.org/article/a22383f174b24dec9feea681e892759a
Publikováno v:
Nanomaterials; Volume 13; Issue 9; Pages: 1534
Umbrella Sampling Molecular Dynamics has been used to determine transition energies for different guest molecules through hydroquinone β-clathrate nanochannels, as well as their temperature trend. This clathrate has been shown to successfully enclat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::117ade4b50197050c6bf8e0a79a1b793
https://hdl.handle.net/11093/4814
https://hdl.handle.net/11093/4814
Publikováno v:
Revista Científica, Vol 2, Iss 25, Pp 162-175 (2016)
The Rosalind Franklin’s case regarding the elucidation of the molecular structure of DNA is presented as an interesting story of the history of science to address a set of questions related to the nature of science (NOS) from an explicit and reflec
Externí odkaz:
https://doaj.org/article/6a4367fad00949349f31fdaa828f5938
Autor:
David Kuťák, Pere‐Pau Vázquez, Tobias Isenberg, Michael Krone, Marc Baaden, Jan Byška, Barbora Kozlíková, Haichao Miao
Publikováno v:
Computer Graphics Forum
Computer Graphics Forum, In press, ⟨10.1111/cgf.14738⟩
Computer Graphics Forum, In press, ⟨10.1111/cgf.14738⟩
Visualization plays a crucial role in molecular and structural biology. It has been successfully applied to a variety of tasks, including structural analysis and interactive drug design. While some of the challenges in this area can be overcome with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2166feacf21bc81bc48c72cf761740cf
https://hdl.handle.net/2117/385817
https://hdl.handle.net/2117/385817
Publikováno v:
Nanomaterials
Volume 13
Issue 3
Pages: 409
Volume 13
Issue 3
Pages: 409
In this study we analyse from a theoretical perspective the encapsulation of both gaseous H2 and CO2 at different conditions of pressure and temperature in a Type II porous liquid, composed by nanometric scale cryptophane-111 molecules dispersed in d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5683ea049b1488a2aeee5f9862d5d4b
Autor:
Josep Maria Bofill, Wolfgang Quapp, Guillem Albareda, Ibério de P. R. Moreira, Jordi Ribas-Ariño, Marco Severi
The effect of oriented external electric fields (OEEF) on chemical reactivity has been studied theoretically and computationally in the last decades. A central goal in this research area is to predict the orientation and the smallest amplitude electr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5fed290ea7c2ad75d8b6578826702535
http://hdl.handle.net/2445/196357
http://hdl.handle.net/2445/196357