Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Erico S. Teixeira"'
Autor:
Tiago G. F. Barros, Eronides F. Da Silva Neto, Joao Alexandre Da Silva Neto, Andre G. M. De Souza, Vitor B. Aquino, Erico S. Teixeira
Publikováno v:
IEEE Access, Vol 10, Pp 72758-72772 (2022)
Due to the large variety of Internet of Things (IoT) platforms, selecting the right one to implement an IoT solution is a tough task. To mitigate right selection by the developer, this paper presents a Systematic Multivocal Mapping Study on IoT platf
Externí odkaz:
https://doaj.org/article/e7dc3b56a68548b1bc40537283b1e0bf
Publikováno v:
Physical Chemistry Chemical Physics. 25:7257-7267
An artificial neural network protocol to compute protein–protein free energy of binding.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::229c50e20d0e2d72384515e67b6984ac
https://doi.org/10.1039/d2cp05644e
https://doi.org/10.1039/d2cp05644e
Publikováno v:
PLoS ONE, Vol 12, Iss 4, p e0174456 (2017)
To elucidate microscopic details of proton cancer therapy (PCT), we apply the simplest-level electron nuclear dynamics (SLEND) method to H+ + (H2O)1-6 at ELab = 100 keV. These systems are computationally tractable prototypes to simulate water radioly
Externí odkaz:
https://doaj.org/article/4c254eb2b3da4cacbd8a97d8f2b893a1
Autor:
Erico S. Teixeira, Jorge A. Morales
Publikováno v:
Theor Chem Acc
Electron nuclear dynamics (END) is an ab initio quantum dynamics method that adopts a time-dependent, variational, direct, and non-adiabatic approach. The simplest-level (SL) END (SLEND) version employs a classical mechanics description for nuclei an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::32a22b4928494e4facbb947823c02559
https://doi.org/10.1007/s00214-020-2578-z
https://doi.org/10.1007/s00214-020-2578-z
Publikováno v:
Physical chemistry chemical physics : PCCP. 21(9)
We present a computational procedure that introduces low degrees of symmetry breaking into a restricted Hartree-Fock (RHF) state in order to induce higher symmetry breaking during the state's subsequent dynamics. The symmetries herein considered are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b4e98fe7d4f34d77e8425e4a80509f6f
https://pubmed.ncbi.nlm.nih.gov/30762051
https://pubmed.ncbi.nlm.nih.gov/30762051
Publikováno v:
Journal of Luminescence. 170:602-613
The photoluminescence of trivalent lanthanide complexes was modeled by five and eight energy states and analyzed by normal distribution plots and principal component analysis chemometric techniques that quantified the effects of the transition rates
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::554bc58e1d3dfae3e0ae3b093db41238
https://doi.org/10.1016/j.jlumin.2014.10.033
https://doi.org/10.1016/j.jlumin.2014.10.033
Publikováno v:
The Journal of Organic Chemistry. 80:8198-8205
Methylation of [R(1)R(2)CNO2](-), where R(1) = R(2) = H (1), R(1) = CH3 and R(2) = H (2), R(1) = R(2) = CH3 (3), and R(1) + R(2) = c-(CH2)2 (4), by CH3I was studied by an ab initio MP2/CBS method, RRKM theory, and kinetic simulations. Contrary to a p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07c51dc5b6d29ba2de015173b25b5311
https://doi.org/10.1021/acs.joc.5b01273
https://doi.org/10.1021/acs.joc.5b01273
Publikováno v:
PLoS ONE, Vol 12, Iss 4, p e0174456 (2017)
PLoS ONE
PLoS ONE
To elucidate microscopic details of proton cancer therapy (PCT), we apply the simplest-level electron nuclear dynamics (SLEND) method to H+ + (H2O)1-6 at ELab = 100 keV. These systems are computationally tractable prototypes to simulate water radioly
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2b8d1112278459b5cbc47be8bd22e11
http://europepmc.org/articles/PMC5380356?pdf=render
http://europepmc.org/articles/PMC5380356?pdf=render
Autor:
Patrick M. McLaurin, Christopher Stopera, Austin J. Privett, Jorge A. Morales, Erico S. Teixeira, Karthik Uppulury
Publikováno v:
Cancers
Cancers; Volume 10; Issue 5; Pages: 136
Cancers; Volume 10; Issue 5; Pages: 136
Proton cancer therapy (PCT) utilizes high-energy proton projectiles to obliterate cancerous tumors with low damage to healthy tissues and without the side effects of X-ray therapy. The healing action of the protons results from their damage on cancer
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::10086087eec08c06ea74fe7185da50d1
https://doi.org/10.3390/cancers10050136
https://doi.org/10.3390/cancers10050136
Publikováno v:
Guevara, N L, Hall, B, Teixeira, E, Sabin, J R, Deumens, E & Ohrn, Y 2009, ' Construction of basis sets for time-dependent studies ', Journal of Chemical Physics, vol. 131, pp. 064104 .
The common basis sets constructed for use in electronic structure calculations have been found inadequate for the representation of electrons participating in nonadiabatic time-dependent dynamics calculations. In this paper we outline an approach to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d5ebae00b28c03b6e14841c5b508b9d
https://portal.findresearcher.sdu.dk/da/publications/386a5960-fad7-11de-aefb-000ea68e967b
https://portal.findresearcher.sdu.dk/da/publications/386a5960-fad7-11de-aefb-000ea68e967b
