Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Caio M. Porto"'
Publikováno v:
Journal of Molecular Modeling. 28
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::734f53ac062e686644906a177168ac4c
https://doi.org/10.1007/s00894-022-05267-9
https://doi.org/10.1007/s00894-022-05267-9
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(23)
The effect of solvent was investigated at the DFT level, M06-2X/6-31++G(d,p), for the implicit, namely the universal solvent model based on solute electron density (SMD) and hybrid solvation models, and a new pathway for the Markovnikov for the addit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37dd554f795f274120a84b1403accf1f
https://pubmed.ncbi.nlm.nih.gov/35667654
https://pubmed.ncbi.nlm.nih.gov/35667654
Publikováno v:
Journal of molecular modeling. 28(10)
Quantum tunneling of the ammonia inversion motion and energy level splittings in He and Ar clusters were investigated. It was found that the double well potential (DWP) in He clusters is symmetrical and that the first layer of He atoms is able to mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::564b009ced14f57d45eb8d008df29919
https://pubmed.ncbi.nlm.nih.gov/36063224
https://pubmed.ncbi.nlm.nih.gov/36063224
Autor:
Kamel Alimi, Claudio Amovilli, Felipe C.T. Antonio, Cassiano M. Aono, Jose J. Benitez, Arianna Binello, Ana Borrego-Sánchez, Sandra E. Brown, Otto V.M. Bueno, Vasily V. Buyadzhi, Norma A. Caballero-Concha, Mark E. Casida, María E. Castro Sánchez, Raissa L.G. Quintino Correa, Mauricio D. Coutinho-Neto, Giancarlo Cravotto, Renato D. da Cunha, Erica de Liandra-Salvador, Esther M.C. de Lima, Aguinaldo R. de Souza, Gabriel L.C. de Souza, Jhonathan R. de Souza, Otávio Aguiar Souza, Mateus M.Z. de Toledo, David Dell’Angelo, Franca M. Floris, Nauan F.S. Gasperin, Alexander V. Glushkov, Salvatore Guccione, Paula Homem-de-Mello, Olga Y. Khetselius, Maria G. Khrenova, Latévi M. Lawson Daku, Ekaterina S. Lokteva, Denis Magero, Liliana Mammino, Francisco J. Melendez Bustamante, Benedetta Mennucci, Penélope Merino-Montiel, Tarek Mestiri, Gabriel S. Mol, Mohammad R. Momeni Taheri, Nelaine Mora-Diez, Nelson H. Morgon, Lisset Noriega, Jose M. Perez-Aguilar, Caio M. Porto, Daniel Rinaldo, Anabel Romero López, C. Ignacio Sainz-Díaz, Júlio R. Sambrano, Miguel A. San-Miguel, Farnaz Alipour Shakib, Alexander N. Sofronkov, Andrey A. Svinarenko, Natalia P. Tarasova, Valentin B. Ternovsky, Cristina Tomasella, Vladimir G. Tsirelson
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::351f43574c4d9c075e7347b0e68bf052
https://doi.org/10.1016/b978-0-12-819879-7.09986-4
https://doi.org/10.1016/b978-0-12-819879-7.09986-4
Publikováno v:
Chemical Physics Letters. 812:140261
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13bad6f24b81955b82cb44f4f88e3101
https://doi.org/10.1016/j.cplett.2022.140261
https://doi.org/10.1016/j.cplett.2022.140261