| Theoretical study of the α-cyclodextrin dimer CS Nascimento, CPA Anconi, HF Dos Santos, WB De Almeida The Journal of Physical Chemistry A 109 (14), 3209-3219, 2005 | 62 | 2005 |
| 1hJFH coupling in 2‐fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long‐range coupling? RA Cormanich, MA Moreira, MP Freitas, TC Ramalho, CPA Anconi, ... Magnetic Resonance in Chemistry 49 (12), 763-767, 2011 | 60 | 2011 |
| Superstructure based on β-CD self-assembly induced by a small guest molecule FB De Sousa, AC Lima, ÂML Denadai, CPA Anconi, WB De Almeida, ... Physical Chemistry Chemical Physics 14 (6), 1934-1944, 2012 | 50 | 2012 |
| Ab initio calculations on low-energy conformers of α-cyclodextrin CPA Anconi, CS Nascimento, J Fedoce-Lopes, HF Dos Santos, ... The Journal of Physical Chemistry A 111 (48), 12127-12135, 2007 | 49 | 2007 |
| New insights on chemical oxidation of single-wall carbon nanotubes: a theoretical study AM Da Silva Jr, GMA Junqueira, CPA Anconi, HF Dos Santos The Journal of Physical Chemistry C 113 (23), 10079-10084, 2009 | 41 | 2009 |
| 1H NMR analysis of O‐methyl‐inositol isomers: a joint experimental and theoretical study MV De Almeida, MRC Couri, JV De Assis, CPA Anconi, HF Dos Santos, ... Magnetic Resonance in Chemistry 50 (9), 608-614, 2012 | 40 | 2012 |
| Theoretical and Experimental Study of Inclusion Complexes Formed by Isoniazid and Modified β-Cyclodextrins: 1H NMR Structural Determination and Antibacterial … MG Teixeira, JV de Assis, CGP Soares, MF Venancio, JF Lopes, ... The Journal of Physical Chemistry B 118 (1), 81-93, 2014 | 37 | 2014 |
| Inclusion complex thermodynamics: The β-cyclodextrin and sertraline complex example JF Lopes, CS Nascimento Jr, CPA Anconi, HF Dos Santos, ... Journal of Molecular Graphics and Modelling 62, 11-17, 2015 | 34 | 2015 |
| Inclusion complexes of α-cyclodextrin and the cisplatin analogues oxaliplatin, carboplatin and nedaplatin: A theoretical approach CPA Anconi, L da Silva Delgado, JBA dos Reis, WB De Almeida, ... Chemical Physics Letters 515 (1-3), 127-131, 2011 | 29 | 2011 |
| Experimental and theoretical investigation of epoxide quebrachitol derivatives through spectroscopic analysis MV De Almeida, JV De Assis, MRC Couri, CPA Anconi, MC Guerreiro, ... Organic Letters 12 (23), 5458-5461, 2010 | 29 | 2010 |
| A highly correlated ab initio investigation of the temperature-dependent conformational analysis of cycloheptane CPA Anconi, CS Nascimento Jr, HF Dos Santos, WB De Almeida Chemical physics letters 418 (4-6), 459-466, 2006 | 29 | 2006 |
| Estudo teórico e experimental de espectros infravermelho de ésteres de ácido graxo presentes na composição do biodiesel de soja EW Castilho-Almeida, HFD Santos, AM Miranda, A Jorio, EHM Ferreira, ... Química Nova 35, 1752-1757, 2012 | 28 | 2012 |
| Water Solvent Effect on Theoretical Evaluation of 1H NMR Chemical Shifts: o-Methyl-Inositol Isomer HF Dos Santos, MA Chagas, LA De Souza, WR Rocha, MV De Almeida, ... The Journal of Physical Chemistry A 121 (14), 2839-2846, 2017 | 26 | 2017 |
| Inclusion process of tetracycline in β and γ-cyclodextrins: A theoretical investigation MAS Costa, CPA Anconi, HF Dos Santos, WB De Almeida, ... Chemical Physics Letters 626, 80-84, 2015 | 26 | 2015 |
| Structure and Stability of (α-CD)3 Aggregate and OEG@(α-CD)3 Pseudorotaxane in Aqueous Solution: A Molecular Dynamics Study CPA Anconi, CS Nascimento Jr, WB De Almeida, HF Dos Santos The Journal of Physical Chemistry B 113 (29), 9762-9769, 2009 | 20 | 2009 |
| Theoretical study of α-CD based [3] pseudorotaxanes: the role played by threadlike polymer on the stability of Cyclodextrin dimers C Anconi, CS Nascimento Jr, WB De Almeida, HF Dos Santos Journal of the Brazilian Chemical Society 19, 1033-1040, 2008 | 19 | 2008 |
| An efficient methodology to study cyclodextrin clusters: application to α-CD hydrated monomer, dimer, trimer and tetramer CS Nascimento Jr, CPA Anconi, JF Lopes, HFD Santos, WB De Almeida Journal of Inclusion Phenomena and Macrocyclic Chemistry 59 (3), 265-277, 2007 | 18 | 2007 |
| Theoretical study of covalently bound α-cyclodextrin associations CPA Anconi, CS Nascimento Jr, WB De Almeida, HF Dos Santos The Journal of Physical Chemistry C 116 (35), 18958-18964, 2012 | 15 | 2012 |
| Theoretical inclusion of deprotonated 2, 4-D and dicamba pesticides in ß-cyclodextrin RA Pereira, WM da Silva Borges, CR Peraro, CPA Anconi Journal of Inclusion Phenomena and Macrocyclic Chemistry 86 (3), 343-349, 2016 | 14 | 2016 |
| Stability and spatial arrangement of the 2, 4-dichlorophenoxyacetic acid and β-cyclodextrin inclusion compound: A theoretical study RA Pereira, CPA Anconi, CS Nascimento Jr, WB De Almeida, ... Chemical Physics Letters 633, 158-162, 2015 | 14 | 2015 |
