Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Estrella Ramos"'
Publikováno v:
Molecules, Vol 25, Iss 2, p 267 (2020)
The author wishes to make the following correction to this paper [...]
Externí odkaz:
https://doaj.org/article/7a9edf335c91460ca03b6d9f5ccc0cc0
Autor:
Roxana Mitzayé del Castillo, Roberto Salcedo, Ana Martínez, Estrella Ramos, Luis Enrique Sansores
Publikováno v:
Molecules, Vol 24, Iss 4, p 771 (2019)
We use molecular mechanics and DFT calculations to analyze the particular electronic behavior of a giant nanoball. This nanoball is a self-assembled M12L24 nanoball; with M equal to Pd+2; Cr; and Mo. These systems present an extraordinarily large cav
Externí odkaz:
https://doaj.org/article/adf7451f76de41e286e64dc59800e1e3
Autor:
S. E. Pérez-Figueroa, Jorge Gutiérrez-Flores, Ana Martínez, Luis Enrique Sansores, Estrella Ramos, Roxana M. del Castillo
Publikováno v:
Structural Chemistry. 32:775-785
Supramolecular coordination complexes have become of great interest due to their broad spectrum of applicability, mainly in the area of biomedicine. Understanding the role played by the metal center and the weak interactions in the formation and stab
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9175d574ccaefc8f60de688264b838ea
https://doi.org/10.1007/s11224-020-01639-0
https://doi.org/10.1007/s11224-020-01639-0
Publikováno v:
The Journal of Physical Chemistry C. 124:10280-10287
Understanding the chemical formation of LiOH at a fundamental level is important for the development of Li-O2 batteries that employ moist oxygen. Previous studies revealed improved features for lit...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6321252b15ba17b7ddffa4084441f9ba
https://doi.org/10.1021/acs.jpcc.9b11980
https://doi.org/10.1021/acs.jpcc.9b11980
Autor:
Neyra Citlali Cabrera-Quiñones, Luis José López-Méndez, Estrella Ramos, Yareli Rojas-Aguirre, Patricia Guadarrama
Publikováno v:
The journal of physical chemistry. B. 126(7)
In this study, three mono-dendronized β-cyclodextrin (βCD) derivatives (βCD-1G, βCD-2G, and βCD-3G) were used as multitasking containers of curcumin (CUR) to influence its aqueous solubility and tautomerism, both of which are related to its biol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9217648ef474711db711acfdc5d5e32
https://pubmed.ncbi.nlm.nih.gov/35142519
https://pubmed.ncbi.nlm.nih.gov/35142519
Publikováno v:
Theoretical Chemistry Accounts. 140
Neurodegenerative disorders are by far the most difficult conditions to control. Wilson's and Parkinson's disease are neurodegenerative disorder associated with an excessive accumulation of copper in the organism. To control the symptoms of these two
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0353061df153119bc747870b526456c1
https://doi.org/10.1007/s00214-021-02776-3
https://doi.org/10.1007/s00214-021-02776-3
Autor:
O. Concepción, Guillermo Santana, Jaafar Ghanbaja, C. de Melo, David Horwat, O. de Melo, Vicente Torres-Costa, Andreas Ruediger, Estrella Ramos, A. Escobosa, Y. González
Publikováno v:
Applied Surface Science
Applied Surface Science, Elsevier, 2020, 514, pp.145875. ⟨10.1016/j.apsusc.2020.145875⟩
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
Applied Surface Science, Elsevier, 2020, 514, pp.145875. ⟨10.1016/j.apsusc.2020.145875⟩
Biblos-e Archivo. Repositorio Institucional de la UAM
instname
The epitaxy of MoO2 on c-plane sapphire substrates is examined. A theoretical approach, based on density functional theory calculations of the strain energy, allowed to predict the preferred layer/substrate epitaxial relationships. To test the result
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b877755ca17e27be22391a9c71f2e69d
http://arxiv.org/abs/2104.10246
http://arxiv.org/abs/2104.10246
Publikováno v:
Journal of Molecular Modeling. 26
The origin, stability, and contribution to the formation of noncovalent interactions, such as hydrogen bonds and π - π stacking, have been already widely discussed. However, there are few discussions about the relevance of these weak interactions i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5767abfdcc6783db45c5f8f6f954c88a
https://doi.org/10.1007/s00894-020-04501-6
https://doi.org/10.1007/s00894-020-04501-6
Publikováno v:
Journal of computational chemistryREFERENCES. 42(1)
Antipsychotics represent an effective therapy for schizophrenia (a chronic mental disorder). Their benefits are related to the interaction of the drugs with dopamine D2 receptor (D2R). Antipsychotics are classified as agonists or antagonists. One of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::98bf1fba0db628c1a35a9a3951bacfef
https://pubmed.ncbi.nlm.nih.gov/33048373
https://pubmed.ncbi.nlm.nih.gov/33048373
Autor:
Cesar Gabriel Vera de la Garza, Serguei Fomine, Gustavo López García, Estrella Ramos Peña, Esaú Martínez Olmedo
Publikováno v:
Computational and Theoretical Chemistry. 1140:125-133
A comparative theoretical study of graphene nanoflakes (NFs) and isomeric NFs based on two different graphene allotropes has been carried out using hybrid density functional theory and complete active space calculations. Two graphene allotropes H1 an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::018291477454b53dccfd409abd3ee232
https://doi.org/10.1016/j.comptc.2018.08.007
https://doi.org/10.1016/j.comptc.2018.08.007