Mario Tulio dos Santos Rosado


AuthID: R-000-CZQ

Confirmed Publications: 27



11
TITLE: Structure of isolated 1,4-butanediol: Combination of MP2 calculations, NBO analysis, and matrix-isolation infrared spectroscopy
AUTHORS: Jesus, AJL ; Rosado, MTS ; Reva, I ; Fausto, R ; Eusebio, AES; Redinha, JS;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 112, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
12
TITLE: Structure of the 2-isopropylaminoethanol isolated molecule: Conformational analysis and intramolecular interactions
AUTHORS: Nunes, SCC ; Eusebio, MES ; Jesus, AJL ; Rosado, MTS ; Redinha, JS;
PUBLISHED: 2008, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 863, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
13
TITLE: The structure of betaxolol from single crystal X-ray diffraction and natural bond orbital analysis  Full Text
AUTHORS: Canotilho, J; Castro, RAE; Rosado, MTS ; Silva, MR ; Beja, AM ; Paixao, JA ; Redinha, JS;
PUBLISHED: 2008, SOURCE: JOURNAL OF MOLECULAR STRUCTURE, VOLUME: 891, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
14
TITLE: Conformational study of isolated pindolol by HF, DFT and MP2 calculations
AUTHORS: Nunes, SCC ; Jesus, AJL ; Rosado, MTS ; Eusebio, MES ;
PUBLISHED: 2007, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 806, ISSUE: 1-3
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
15
TITLE: Enthalpy of sublimation/vaporization of trans-cyclohexyl-1,4-diamine and cis-cyclohexyl-1, 2-diamine  Full Text
AUTHORS: Luciana I N Tome ; Mario T S Rosado ; Sandra C C Nunes ; Teresa M R Maria ; Joao Canotilho; Ermelinda E S Eusebio ;
PUBLISHED: 2007, SOURCE: JOURNAL OF CHEMICAL THERMODYNAMICS, VOLUME: 39, ISSUE: 10
INDEXED IN: Scopus WOS
IN MY: ORCID | ResearcherID
16
TITLE: Hydration of cyclohexylamines: CPCM calculation of hydration gibbs energy of the conformers
AUTHORS: Lopes J L Jesus ; Luciana I N Tome ; Ermelinda E S Eusebio ; Mario T S Rosado ; Redinha, JS;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 111, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID | ResearcherID
17
TITLE: Molecular structure of mono- and 1,2-aminoderivatives of cyclohexane: Steric strain effects as determining factors
AUTHORS: Tome, LIN ; Rosado, MTS ; Ermelinda, M; Eusebio, S; Redinha, JS;
PUBLISHED: 2007, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 804, ISSUE: 1-3
INDEXED IN: Scopus WOS
IN MY: ORCID
18
TITLE: Conformational study of monomeric 2,3-butanediols by matrix-isolation infrared spectroscopy and DFT calculations
AUTHORS: Jesus, AJL ; Rosado, MTS ; Reva, I ; Fausto, R ; Eusebio, ME ; Redinha, JS;
PUBLISHED: 2006, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 110, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 44
IN MY: ORCID | ResearcherID
19
TITLE: Stepwise conformational cooling towards a single isomeric state in the four internal rotors system 1,2-butanediol
AUTHORS: Reva, ID ; Jesus, AJL ; Rosado, MTS ; Fausto, R ; Eusebio, ME ; Redinha, JS;
PUBLISHED: 2006, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 8, ISSUE: 45
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
20
TITLE: Conformational study of erythritol and threitol in the gas state by density functional theory calculations
AUTHORS: Jesus, AJL ; Tome, LIN ; Rosado, MTS ; Leitao, MLP; Redinha, JS;
PUBLISHED: 2005, SOURCE: CARBOHYDRATE RESEARCH, VOLUME: 340, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef Handle
IN MY: ORCID
Page 2 of 3. Total results: 27.

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