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ACS Omega
|
March 24, 2020
Relative Position and Relative Rotation in Supramolecular Systems through the Analysis of the Principal Axes of Inertia: Ferrocene/Cucurbit[7]uril and Ferrocenyl Azide/β-Cyclodextrin Case Studies
Cleber P A Anconi
Journal of Molecular Modeling
|
March 4, 2021
Condensed-phase relative Gibbs free energy and E/Z descriptors for 2-acetylthiophene and 2-acetylthiophene-N1-phenyl thiosemicarbazones
Alice L R Sales, Josué M Silla, Jonas L Neto, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Theoretical study of the alpha-cyclodextrin dimer
Clebio S Nascimento, Cleber P A Anconi, Hélio F Dos Santos, et al.
The Journal of Physical Chemistry. B
|
July 17, 2009
Structure and stability of (alpha-CD)3 aggregate and OEG@(alpha-CD)3 pseudorotaxane in aqueous solution: a molecular dynamics study
Cleber P A Anconi, Clebio S Nascimento, Wagner B De Almeida, et al.
Journal of Molecular Graphics & Modelling
|
September 5, 2015
Inclusion complex thermodynamics: The β-cyclodextrin and sertraline complex example
Juliana Fedoce Lopes, Clebio S Nascimento, Cleber P A Anconi, et al.
Journal of Molecular Modeling
|
January 18, 2023
Estimating hydroxyl/epoxy ratio in graphene oxide through adsorption experiment and semiempirical GFN2-xTB quantum method
Larissa C A Souza, Regis V A Abreu, Mário C Guerreiro, et al.
The Journal of Physical Chemistry. A
|
November 14, 2007
Ab initio calculations on low-energy conformers of alpha-cyclodextrin
Cleber P A Anconi, Clebio S Nascimento, Juliana Fedoce-Lopes, et al.
Magnetic Resonance in Chemistry : MRC
|
August 7, 2012
(1) H NMR analysis of O-methyl-inositol isomers: a joint experimental and theoretical study
Mauro V De Almeida, Mara Rubia C Couri, João Vitor De Assis, et al.
The Journal of Physical Chemistry. A
|
March 23, 2017
Water Solvent Effect on Theoretical Evaluation of <sup>1</sup>H NMR Chemical Shifts: o-Methyl-Inositol Isomer
Hélio F Dos Santos, Marcelo A Chagas, Leonardo A De Souza, et al.
Organic Letters
|
November 4, 2010
Experimental and theoretical investigation of epoxide quebrachitol derivatives through spectroscopic analysis
Mauro V De Almeida, João Vitor De Assis, Mara Rubia C Couri, et al.
Page
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Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
ACS Omega
|
March 24, 2020
Relative Position and Relative Rotation in Supramolecular Systems through the Analysis of the Principal Axes of Inertia: Ferrocene/Cucurbit[7]uril and Ferrocenyl Azide/β-Cyclodextrin Case Studies
Cleber P A Anconi
Journal of Molecular Modeling
|
March 4, 2021
Condensed-phase relative Gibbs free energy and E/Z descriptors for 2-acetylthiophene and 2-acetylthiophene-N1-phenyl thiosemicarbazones
Alice L R Sales, Josué M Silla, Jonas L Neto, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Theoretical study of the alpha-cyclodextrin dimer
Clebio S Nascimento, Cleber P A Anconi, Hélio F Dos Santos, et al.
The Journal of Physical Chemistry. B
|
July 17, 2009
Structure and stability of (alpha-CD)3 aggregate and OEG@(alpha-CD)3 pseudorotaxane in aqueous solution: a molecular dynamics study
Cleber P A Anconi, Clebio S Nascimento, Wagner B De Almeida, et al.
Journal of Molecular Graphics & Modelling
|
September 5, 2015
Inclusion complex thermodynamics: The β-cyclodextrin and sertraline complex example
Juliana Fedoce Lopes, Clebio S Nascimento, Cleber P A Anconi, et al.
Journal of Molecular Modeling
|
January 18, 2023
Estimating hydroxyl/epoxy ratio in graphene oxide through adsorption experiment and semiempirical GFN2-xTB quantum method
Larissa C A Souza, Regis V A Abreu, Mário C Guerreiro, et al.
The Journal of Physical Chemistry. A
|
November 14, 2007
Ab initio calculations on low-energy conformers of alpha-cyclodextrin
Cleber P A Anconi, Clebio S Nascimento, Juliana Fedoce-Lopes, et al.
Magnetic Resonance in Chemistry : MRC
|
August 7, 2012
(1) H NMR analysis of O-methyl-inositol isomers: a joint experimental and theoretical study
Mauro V De Almeida, Mara Rubia C Couri, João Vitor De Assis, et al.
The Journal of Physical Chemistry. A
|
March 23, 2017
Water Solvent Effect on Theoretical Evaluation of <sup>1</sup>H NMR Chemical Shifts: o-Methyl-Inositol Isomer
Hélio F Dos Santos, Marcelo A Chagas, Leonardo A De Souza, et al.
Organic Letters
|
November 4, 2010
Experimental and theoretical investigation of epoxide quebrachitol derivatives through spectroscopic analysis
Mauro V De Almeida, João Vitor De Assis, Mara Rubia C Couri, et al.
Page
of 2