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Paschoal, Diego
108  results:
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1

Structure and redox stability of [Au(III)(X^N^X)PR3] comple..:

Sánchez Delgado, Giset Y. ; Paschoal, Diego ; de Oliveira, Marcone A.L..
Journal of Inorganic Biochemistry.  200 (2019)  - p. 110804 , 2019
Link: https://doi.org/10.1016/..
 
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2

A SERS investigation of antimicrobial adsorption on silver ..:

Filgueiras, Aline Luciano ; Dutra, Tailine Mara Freire ; Paschoal, Diego..
Journal of Raman Spectroscopy.  48 (2017)  6 - p. 789-794 , 2017
Link: https://doi.org/10.1002/..
 
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3

Gold(I) complexes with aryl-thiosemicarbazones: Molecular m..:

Tavares, Tatiane Teixeira ; Azevedo, Gustavo Chevitarese ; Garcia, Adriana...
Polyhedron.  132 (2017)  - p. 95-104 , 2017
Link: https://doi.org/10.1016/..
 
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4

Simultaneous determination of aspartame, cyclamate, sacchar..:

Duarte, Lucas M. ; Paschoal, Diego ; Izumi, Celly M.S....
Food Research International.  99 (2017)  - p. 106-114 , 2017
Link: https://doi.org/10.1016/..
 
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5

Computational protocol to predict hyperpolarizabilities of ..:

Paschoal, Diego ; Dos Santos, Hélio F.
Organic Electronics.  28 (2016)  - p. 111-117 , 2016
Link: https://doi.org/10.1016/..
 
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6

The adsorption of rifampicin on gold or silver surfaces med..:

Filgueiras, Aline Luciano ; Lima, Franciely Rufino A. ; de Carvalho, Dhieniffer Ferreira...
Vibrational Spectroscopy.  86 (2016)  - p. 75-80 , 2016
Link: https://doi.org/10.1016/..
 
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7

Adsorption study of antibiotics on silver nanoparticle surf..:

Filgueiras, Aline Luciano ; Paschoal, Diego ; Dos Santos, Hélio F..
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.  136 (2015)  - p. 979-985 , 2015
Link: https://doi.org/10.1016/..
 
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8

NLO‐X (X = I–III): New Gaussian basis sets for prediction o..:

Paschoal, Diego ; Costa, Marcello F. ; Dos Santos, Hélio F.
International Journal of Quantum Chemistry.  114 (2014)  12 - p. 796-804 , 2014
Link: https://doi.org/10.1002/..
 
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9

Exploring the potential energy surface for interaction of a..:

Dos Santos, Hélio F. ; Paschoal, Diego ; Burda, Jaroslav V.
Chemical Physics Letters.  548 (2012)  - p. 64-70 , 2012
Link: https://doi.org/10.1016/..
 
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10

Exploring the Potential Energy Surface for the Interaction ..:

Dos Santos, Hélio F. ; Paschoal, Diego ; Burda, Jaroslav V.
The Journal of Physical Chemistry A.  116 (2012)  45 - p. 11015-11024 , 2012
Link: https://doi.org/10.1021/..
 
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11

Assessing the quantum mechanical level of theory for predic..:

Paschoal, Diego ; Dos Santos, Hélio F.
Journal of Molecular Modeling.  19 (2012)  5 - p. 2079-2090 , 2012
Link: https://doi.org/10.1007/..
 
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12

The role of the basis set and the level of quantum mechanic..:

Paschoal, Diego ; Marcial, Bruna L. ; Lopes, Juliana Fedoce..
Journal of Computational Chemistry.  33 (2012)  29 - p. 2292-2302 , 2012
Link: https://doi.org/10.1002/..
 
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13

Ab initio calculation of electric properties for the BH, CO..:

Paschoal, Diego ; Costa, Marcello F. ; Junqueira, Georgia M.A..
Journal of Molecular Structure: THEOCHEM.  913 (2009)  1-3 - p. 200-206 , 2009
Link: https://doi.org/10.1016/..
 
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14

S–Se oxidative addition to auranofin derivatives: a DFT stu..:

Dos Santos, Hélio F. ; Paschoal, Diego F. S.
Physical Chemistry Chemical Physics.  26 (2024)  6 - p. 5517-5528 , 2024
Link: https://doi.org/10.1039/..
 
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15

Theoretical study of the influence of electron push or pull..:

De Souza, Leonardo A. ; Pinto, Larissa P.N.M. ; Silva, Júlia P.O....
Computational and Theoretical Chemistry.  1232 (2024)  - p. 114459 , 2024
Link: https://doi.org/10.1016/..
 
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