Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Luiz Guilherme M. de Macedo"'
Autor:
Pedro Henrique de Oliveira Neto, Ricardo Gargano, Yuri Alves de Oliveira Só, Luiz Guilherme M. de Macedo
Publikováno v:
Frontiers in Chemistry
Repositório Institucional da UnB
Universidade de Brasília (UnB)
instacron:UNB
Frontiers in Chemistry, Vol 6 (2019)
Repositório Institucional da UnB
Universidade de Brasília (UnB)
instacron:UNB
Frontiers in Chemistry, Vol 6 (2019)
Although molecular collisions of noble gases (Ng) can be theoretically used to distinguish between the enantiomers of hydrogen peroxide - H2O2 (HP), little is known about the effects of HP-Ng interactions on the chiral rate. In this work, the chiral
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09bcc88b1a74df75ce1666c848cef37b
http://europepmc.org/articles/PMC6345723
http://europepmc.org/articles/PMC6345723
Autor:
Luiz Guilherme M. de Macedo, Davi H. T. Amador, João Augusto Pereira da Rocha, Alan Souza Lima
Publikováno v:
Revista Virtual de Química. 8:405-416
Apesar de estado fundamental do F2 ser bem caracterizado, seus estados excitados sao pouco compreendidos devido as dificuldades experimentais e teorico/computacional. Neste trabalho obtivemos todos os 23 estados excitados covalentes da molecula F2 co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::28f7c096c249ad95f2a99f2de49c03df
https://doi.org/10.5935/1984-6835.20160030
https://doi.org/10.5935/1984-6835.20160030
Autor:
Luiz Guilherme M. de Macedo, Yuri Alves de Oliveira, Henrique Vieira Rivera Vila, Romário Sousa Silva
Publikováno v:
Livro de Resumos da VII Simpósio de Estrutura Eletrônica e Dinâmica Molecular.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57a0ffb698d2f2b3c8bc1113252b03e3
https://doi.org/10.21826/9788563800374067
https://doi.org/10.21826/9788563800374067
Autor:
Ricardo Gargano, Luiz Guilherme M. de Macedo, Henrique Vieira Rivera Vila, Luiz Antonio Ribeiro
Publikováno v:
Scientific Reports, Vol 8, Iss 1, Pp 1-13 (2018)
A thorough time-independent quantum scattering study is performed on a benchmark potential energy surface for the H+Li-2 reaction at the fundamental electronic state. Integral and differential cross sections are calculated along with thermal rate coe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cbbe226e26b30aa2196bba331ceee0b4
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-145143
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-145143
Autor:
Thiago Ferreira da Cunha, Ricardo Gargano, Wiliam Ferreira da Cunha, Luiz Guilherme M. de Macedo, Henrique Vieira Rivera Vila
Publikováno v:
Journal of Molecular Modeling. 23
This work presents a detailed study concerning the quantum isotope effects on the H+Li[Formula: see text] reaction, when the hydrogen is replaced by muonium, deuterium, and tritium. To verify such effects on these isotope reactions, it was applied an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e1eb158c5b662a7cdf81a43a7aa19a31
https://doi.org/10.1007/s00894-017-3289-9
https://doi.org/10.1007/s00894-017-3289-9
Publikováno v:
Journal of molecular modeling. 23(4)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::fc2d371d71bf2f0ccbb1f10ad8f02e51
https://pubmed.ncbi.nlm.nih.gov/28197840
https://pubmed.ncbi.nlm.nih.gov/28197840
Publikováno v:
Journal of Molecular Modeling. 23
This investigation generated rovibrational energies and spectroscopic constants for systems of CCl4 with Ng (Ng = He, Ne, Ar), O2, D2O and ND3 from scattering experimental data, and the results presented are of interest for microwave spectroscopy stu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::658dd615859bb4b282de28e266349c9c
https://doi.org/10.1007/s00894-017-3269-0
https://doi.org/10.1007/s00894-017-3269-0
Publikováno v:
The Journal of Physical Chemistry A. 118:5818-5822
The covalent excited states and ground state of the Br2 molecule has been investigated by using four-component relativistic COSCI and MRCISD methods. These methods were performed for all covalent states in the representation Ω((±)). Calculated pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3863e2a501ea1ffbc98b0dc4be4d9fd
https://doi.org/10.1021/jp4114283
https://doi.org/10.1021/jp4114283
Autor:
Thiago Ferreira, da Cunha, Henrique Vieira, Rivera Vila, Wiliam, Ferreira da Cunha, Luiz Guilherme M, de Macedo, Ricardo, Gargano
Publikováno v:
Journal of molecular modeling. 23(4)
This work presents a detailed study concerning the quantum isotope effects on the H+Li[Formula: see text] reaction, when the hydrogen is replaced by muonium, deuterium, and tritium. To verify such effects on these isotope reactions, it was applied an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1639ceacf16cb93cd61cf4b9bc43f3cf
https://pubmed.ncbi.nlm.nih.gov/28289959
https://pubmed.ncbi.nlm.nih.gov/28289959
Autor:
Cristiane P. de Macedo, José Roberto Zamian, Luiz Guilherme M. de Macedo, Charles Alberto Brito Negrão, Geraldo Narciso da Rocha Filho, Carlos E.F. da Costa
Publikováno v:
Journal of Thermal Analysis and Calorimetry. 115:31-36
The Al-MCM-41 molecular sieve with Si/Al = 20 molar ratio was synthesized at room temperature and characterized by X-ray diffractometry, surface area, thermogravimetry, and infrared spectroscopy. The kinetic study was conducted by Vyazovkin and Ozawa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d96d8e31877aa4e8800fbbafa79b6fa
https://doi.org/10.1007/s10973-013-3267-0
https://doi.org/10.1007/s10973-013-3267-0