Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Mateus X. Silva"'
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
A new procedure is suggested to improve genetic algorithms for the prediction of structures of nanoparticles. The strategy focuses on managing the creation of new individuals by evaluating the efficiency of operators (o1, o2,…,o13) in generating we
Externí odkaz:
https://doaj.org/article/d966314d989d4a7cb85928416b13acaf
Autor:
Zhenghai Yang, Chao He, Shane J. Goettl, Dababrata Paul, Ralf I. Kaiser, Mateus X. Silva, Breno R. L. Galvão
Publikováno v:
Journal of the American Chemical Society. 144:8649-8657
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::72ae26130d38e8b88eeb0378f5849aa5
https://doi.org/10.1021/jacs.2c01349
https://doi.org/10.1021/jacs.2c01349
Publikováno v:
Monthly Notices of the Royal Astronomical Society. 507:1899-1903
Models for the abundances of phosphorus-bearing molecules, such as PO and PN, rely on rate coefficients guessed from similar reactions of NO. Given the importance of these molecules in pre-biotic chemistry, in this work we carry out accurate multiref
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3aa06114b12a9621590daa767d2d7729
https://doi.org/10.1093/mnras/stab2255
https://doi.org/10.1093/mnras/stab2255
Publikováno v:
Journal of Chemical Education. 98:2574-2577
Periodicity in electronic molar entropy values has been shown on the basis of the electronic structures of the elements. Also, with the approximations discussed herein, one can estimate the electronic molar entropy without atomic spectroscopy results
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ddf6307f3d1481ba0b97b7f88eb0c7fd
https://doi.org/10.1021/acs.jchemed.1c00140
https://doi.org/10.1021/acs.jchemed.1c00140
Autor:
Danilo R Campanha, Edgar Mendoza, Mateus X Silva, Paulo F G Velloso, Miguel Carvajal, Valentine Wakelam, Breno R L Galvão
The Si+SO$_2$ reaction is investigated to verify its impact on the abundances of molecules with astrochemical interest, such as SiS, SiO, SO and others. According to our results Si($^3$P) and SO$_2$ react barrierlessly yielding only the monoxides SO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::793b96aa607201ed2e8736400991280c
http://arxiv.org/abs/2206.04982
http://arxiv.org/abs/2206.04982
Autor:
Shane J. Goettl, Breno R. L. Galvão, Mateus X. Silva, Chao He, Ralf I. Kaiser, Zhenghai Yang, Srinivas Doddipatla
Publikováno v:
Physical Chemistry Chemical Physics. 23:18506-18516
The reaction of the D1-silylidyne radical (SiD; X2Π) with phosphine (PH3; X1A1) was conducted in a crossed molecular beams machine under single collision conditions. Merging of the experimental results with ab initio electronic structure and statist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::251993bd3cb2fb57c99655c56b70ecef
https://doi.org/10.1039/d1cp02812j
https://doi.org/10.1039/d1cp02812j
Autor:
Srinivas Doddipatla, Mateus X. Silva, Tom J. Millar, Ralf I. Kaiser, Shane J. Goettl, Breno R. L. Galvão, Zhenghai Yang, Chao He
Publikováno v:
Physical Chemistry Chemical Physics. 23:13647-13661
The reactions of the D1-silylidyne radical (SiD; X2Π) with deuterium sulfide (D2S; X1A1) and hydrogen sulfide (H2S; X1A1) were conducted utilizing a crossed molecular beams machine under single collision conditions. The experimental work was carried
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a8a35e2db1f3eafba015b21e189614da
https://doi.org/10.1039/d1cp01629f
https://doi.org/10.1039/d1cp01629f
Autor:
Shane J, Goettl, Srinivas, Doddipatla, Zhenghai, Yang, Chao, He, Ralf I, Kaiser, Mateus X, Silva, Breno R L, Galvão, Tom J, Millar
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(24)
The reactions of the D1-silylidyne radical (SiD; X2Π) with deuterium sulfide (D2S; X1A1) and hydrogen sulfide (H2S; X1A1) were conducted utilizing a crossed molecular beams machine under single collision conditions. The experimental work was carried
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8c9fbecbc121acd6c0d05243fd3489a5
https://pubmed.ncbi.nlm.nih.gov/34120159
https://pubmed.ncbi.nlm.nih.gov/34120159
Autor:
Breno R. L. Galvão, Mateus X. Silva, Alain B. Tchagang, Dennis R. Salahub, Maicon Pierre Lourenço, Jiří Hostaš, Lizandra Barrios Herrera
In catalysis, an accurate structural elucidation of molecules, atomic clusters, nanoparticles and solid surfaces is required to understand chemical processes. Therefore, an efficient and automatic structure determination for these systems is of great
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a2fb3d6669a3056f75585dbf86631d3
https://nrc-publications.canada.ca/eng/view/object/?id=eaed8c7f-185b-4280-8b9a-eae79ad27ba6
https://nrc-publications.canada.ca/eng/view/object/?id=eaed8c7f-185b-4280-8b9a-eae79ad27ba6
Publikováno v:
International Journal of Quantum Chemistry. 121
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::37f8e8994a2299c013656a7df2f208a5
https://doi.org/10.1002/qua.26562
https://doi.org/10.1002/qua.26562