| 2017 |
Artigo em periódico |
Very Fast and Surprisingly Accurate GIAO-mPW1PW91/3-21G//PM7 Scaling Factor for 13</sup> C NMR Chemical Shifts Calculation
Fabio Luiz PARANHOS; Thais Forest GIACOMELLO; Rênica Alves De Moraes ROCHA; Antônio Maia De Jesus CHAVES; Gunar Vingre Da Silva MOTA
ADVANCED SCIENCE; ENGINEERING AND MEDICINE
DOI 10.1166/asem.2017.1989
ISSN 2164-6627
|
PS
Physical and Theoretical Chemistry
|
| 2017 |
Artigo em periódico |
Minimization of the Residual Error as an Alternative Method for 13</sup> C Chemical Shift Calculation
Antônio Maia De Jesus CHAVES; Fabio Luiz Paranhos COSTA; Gunar Vingre Da Silva MOTA
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2017.6843
ISSN 1546-1955
|
PS
General Physics and Astronomy
|
| 2017 |
Artigo em periódico |
Protocol for Calculating 13</sup> C Nuclear Magnetic Resonance Chemical Shifts of Flexible Organic Molecules
Giacomello Thais FOREST; De Morais Rocha Rênica ALVES; De Jesus Chaves Neto Antonio MAIA; Gunar Vingre Da Silva MOTA; Costa Fabio Luiz PARANHOS
ADVANCED SCIENCE; ENGINEERING AND MEDICINE
DOI 10.1166/asem.2017.2053
ISSN 2164-6627
|
PS
Spectroscopy
|
| 2017 |
Artigo em periódico |
Experimental and Theoretical Studies of the Near Edge X-ray Absorption Fine Structure Spectra and Dominant Nanoelectronic Transport Process in Organic Molecules
Gunar Vingre Da Silva MOTA; Neto Antônio Maia De Jesus CHAVES; Júnior Carlos Alberto Brito Da SILVA; Nero Jordan DEL
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
DOI 10.1166/jnn.2017.13923
ISSN 1533-4880
|
PS
Physics and Astronomy (miscellaneous)
|
| 2016 |
Artigo em periódico |
A DFT study of infrared spectra and Monte Carlo predictions of the solvation shell of Praziquantel and β-cyclodextrin inclusion complex in liquid water
Gunar Vingre Da Silva MOTA; Nilson Dos Santos FERREIRA; Carlos Xavier OLIVEIRA
Spectrochimica Acta. Part A; Molecular and Biomolecular Spectroscopy (Print)
DOI 10.1016/j.saa.2015.08.011
ISSN 1386-1425
|
PS
Spectroscopy
|
| 2016 |
Artigo em periódico |
Monte Carlo Simulation and GIAO-HDFT NMR Chemical Shifts Calculations for Supporting the Identification of a Natural Terpenoid
Fabio Luiz Paranhos COSTA; Sidnei B O FERNANDES; Catharina Eccard FINGOLO; Fabio BOYLAN; Gunar Vingre Da Silva MOTA et al
Quantum Matter
DOI 10.1166/qm.2016.1367
ISSN 2164-7623
|
PS
Spectroscopy
|
| 2016 |
Artigo em periódico |
X-Ray Peak Broadening and Raman Spectroscopy Studies of Ce0.08</sub>Fe0.02</sub>O2-δ </sub>Nanoparticles Prepared by a Sol-Gel-Based Method
Nilson Dos Santos FERREIRA; Alan Clécio Bezerra De OLIVEIRA; Gunar Vingre Da Silva MOTA; Alan Cavalcanti CUNHA; Marcelo Souza Da SILVA
Materials Science Forum (Online)
DOI 10.4028/www.scientific.net/msf.881.491
ISSN 1662-9752
|
PS
Materials Chemistry
|
| 2015 |
Artigo em periódico |
A Comparative Quantum Chemical Study of a Novel Synthetic Prenylated Chalcone: High Accuracy of NMR 13</sub>C GIAO-DFT Scaling Factor Calculations at the mPW91PW91/6-31 G(d) Level of Theory
Costa Fabio Luiz PARANHOS; Gunar Vingre Da Silva MOTA; Ana Carolina Ferreira De ALBUQUERQUE; Fernando Martins Dos Santos JUNIOR; De Amorim Mauro BARBOSA
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2015.4008
ISSN 1546-1955
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Artigo em periódico |
Infrared Theoretical Spectra of Triolein Obtained by Density Functional Theory from a Conformational Search for Low-Energy Conformers by the Monte Carlo Method
Ferreira N S; Neto A M J C; Gunar Vingre Da Silva MOTA
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2014.3645
ISSN 1546-1955
|
PS
Physical and Theoretical Chemistry
|
| 2014 |
Artigo em periódico |
Thermodynamics Study of the Parallel Gold Nanowires Matrices
Silva Leandro G; Abel Ferreira Gomes NETO; Neto Antonio M J C; Costa José F S; Gunar Vingre Da Silva MOTA et al
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2014.3325
ISSN 1546-1955
|
PS
General Physics and Astronomy
|
| 2013 |
Trabalho em evento |
A óptica física contextualizada e descomplicada para alunos do ensino fundamental
Gunar Vingre Da Silva MOTA; Juliane Do Socorro Mendonça PEREIRA
Ciência na Ilha
|
PS
Physics and Astronomy (miscellaneous)
|
| 2013 |
Trabalho em evento |
A Theoretical Study of Solvation Shell and Infrared Spectroscopy on the Inclusion Complexation of Praziquantel and beta-cyclodextrin in water
Gunar Vingre Da Silva MOTA; Nilson Dos Santos FERREIRA; Carlos Xavier OLIVEIRA; Antônio Maia De Jesus CHAVES
XXXI Encontro de Físicos do Norte e Nordeste
|
PS
Spectroscopy
|
| 2013 |
Artigo em periódico |
A Molecular Dynamics Study of a Flagellum Inside of a Carbon Nanotube
Neto Antônio M J C; Abel F G NETO; Gunar Vingre Da Silva MOTA; Borges Rosivado S
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2013.3246
ISSN 1546-1955
|
PS
General Physics and Astronomy
|
| 2013 |
Artigo em periódico |
Molecular Dynamics Study on the Interactions Between DNA and the Molecules Present in Cassava
Antonio Adelmo Freire BESERRA; Antonio Maia De Jesus Chaves NETO; Rodrigo Cordeiro De SENA; Abel Ferreira Gomes NETO; Gunar Vingre Da Silva MOTA
Journal of Advanced Mathematics and Applications
DOI 10.1166/jama.2013.1035
ISSN 2156-7565
|
LS
Biochemistry; Genetics and Molecular Biology (miscellaneous)
|
| 2012 |
Artigo em periódico |
Inclusion Complexation of Praziquantel and -Cyclodextrin; Combined Molecular Mechanic and Monte Carlo Simulation
Gunar Vingre Da Silva MOTA; Mota Gunar Vingre Da SILVA; Costa Fábio Luiz PARANHOS; De Oliveira Carlos XAVIER; Neto Antônio M J C
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2012.2148
ISSN 1546-1955
|
LS
General Biochemistry; Genetics and Molecular Biology
|
| 2011 |
Trabalho em evento |
Inclusion complexation of praziquantel and b-cyclodextrin. Combined Molecular Mechanic and Monte Carlo
Gunar Vingre Da Silva MOTA; Antonio Maia De Jesus Chaves NETO; Costa Fabio Luiz PARANHOS; Carlos Xavier OLIVEIRA
XVI Simpósio Brasileiro de Química Teórica - SBQT 2011
|
PS
Physical and Theoretical Chemistry
|
| 2011 |
Artigo em periódico |
Nanosphere and Carbon Nanotube as Motor and Gun Controlled by Light
Neto A M J C; Oliveira C X; Gunar Vingre Da Silva MOTA
Journal of Nanoscience and Nanotechnology (Print)
DOI 10.1166/jnn.2011.3065
ISSN 1533-4880
|
PS
General Materials Science
|
| 2011 |
Artigo em periódico |
Ultraviolet Spectroscopy and Density of State for Free Oseltamivir in Aqueous Solution by Computational Methods
Gunar Vingre Da Silva MOTA; Costa Fabio Luiz PARANHOS; Fernandes Sidnei Bessa De OLIVEIRA; De Amorim Mauro BARBOSA; Neto Antônio M J C
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2011.1726
ISSN 1546-1955
|
PS
Spectroscopy
|
| 2010 |
Trabalho em evento |
A study of the free Oseltamivir in aqueous solution by Monte Carlo Simulation
Fabio Luiz PARANHOS; Gunar Vingre Da Silva MOTA; Antônio Maia De Jesus CHAVES; Sidnei B O FERNANDES; Mauro B De AMORIM
Simpósio Brasileiro em Química Medicinal (the 5th BrazMedChem)
|
PS
Organic Chemistry
|
| 2010 |
Artigo em periódico |
Effects on UV Spectrum of Caffeine by Cluster and Polarized Continuum Model
Gunar Vingre Da Silva MOTA; Neto Antônio M J C
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2010.1404
ISSN 1546-1955
|
PS
Theoretical Computer Science
|
| 2010 |
Artigo em periódico |
Selective surface functionalization of polystyrene by inner-shell monochromatic irradiation and oxygen exposure
Weibel Daniel EDUARDO; Kessler FELIPE; Gunar Vingre Da Silva MOTA
Polymer Chemistry
DOI 10.1039/b9py00342h
ISSN 1759-9954
|
PS
Polymers and Plastics
|
| 2010 |
Artigo em periódico |
R-(-)Linalool UV Spectroscopy: The Experimental and Theoretical Study
Antonio Maia De Jesus Chaves NETO; Antonio Maia De Jesus Chaves NETO; Gunar Vingre Da Silva MOTA; Borges Rosivaldo S; Albuquerque M L S Marcos Lazaro L S ALBUQUERQUE
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2010.1375
ISSN 1546-1955
|
PS
Spectroscopy
|
| 2010 |
Artigo em periódico |
Theoretical UV Spectroscopy Proprieties of Methylxanthines
Gunar Vingre Da Silva MOTA; Antonio Maia De Jesus Chaves NETO; Antonio Maia De Jesus Chaves NETO
Journal of Computational and Theoretical Nanoscience
DOI 10.1166/jctn.2010.1346
ISSN 1546-1955
|
PS
Spectroscopy
|
| 2009 |
Capítulo de livro |
Time dependence of Rn atom inside a Carbon nanotube
Antônio Maia De Jesus Chaves NETO; Gunar Vingre Da Silva MOTA
Trends in Physics Festschrift in Homage to Prof. José Maria Filardo Bassalo
ISBN 8578610210
|
PS
Atomic and Molecular Physics; and Optics
|
| 2009 |
Capítulo de livro |
Effects on UV spectrum of caffeine in aqueous solution by cluster and polarized continuum model
Gunar Vingre Da Silva MOTA; Antônio Maia De Jesus Chaves NETO
TRENDS IN PHYSICS FESTSCHRIFT IN HOMAGE TO PROF. JOSÉ MARIA FILARDO BASSALO
ISBN 8578610210
|
PS
General Physics and Astronomy
|