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Machado de Macedo, Luiz Guilherme
231  results:
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1

Electronic, spectroscopic, dynamic and thermodynamic proper..:

de Jesus Melo Brasil Neta, Maria ; de Oliveira, Rhuiago Mendes ; Machado de Macedo, Luiz Guilherme..
Computational and Theoretical Chemistry.  1230 (2023)  - p. 114397 , 2023
Link: https://doi.org/10.1016/..
 
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2

The van der Waals interactions in systems involving superhe..:

Machado de Macedo, Luiz Guilherme ; Negrão, Charles Alberto Brito ; de Oliveira, Rhuiago Mendes...
Physical Chemistry Chemical Physics.  25 (2023)  1 - p. 633-645 , 2023
Link: https://doi.org/10.1039/..
 
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3

Magnetism and perfect spin filtering in pristine MgCl2 nano..:

Vasconcelos, Railson ; Paura, Edson N. C. ; Machado de Macedo, Luiz Guilherme.
Physical Chemistry Chemical Physics.  24 (2022)  5 - p. 3370-3378 , 2022
Link: https://doi.org/10.1039/..
 
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4

A Spectroscopic Validation of the Improved Lennard–Jones Mo..:

de Oliveira, Rhuiago Mendes ; Machado de Macedo, Luiz Guilherme ; da Cunha, Thiago Ferreira..
Molecules.  26 (2021)  13 - p. 3906 , 2021
Link: https://doi.org/10.3390/..
 
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5

Investigation of strength and nature of the weak intermolec..:

Ferreira de Menezes, Rafael ; Machado de Macedo, Luiz Guilherme ; Lopes Martins, João Batista..
Chemical Physics Letters.  769 (2021)  - p. 138386 , 2021
Link: https://doi.org/10.1016/..
 
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6

Relativistic four-component MRCISD+Q calculations of the si..:

de Macedo, Luiz Guilherme Machado ; de Castro Vieira, Yasmin Celen ; de Oliveira, Rhuiago Mendes.
Journal of Molecular Modeling.  29 (2023)  7 - p. , 2023
Link: https://doi.org/10.1007/..
 
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7

Electronic and dynamical properties of non-covalent diatomi..:

de Jesus, Guilherme Carlos Carvalho ; Costa, Caio Vinícius Sousa ; de Macedo, Luiz Guilherme Machado...
Journal of Molecular Modeling.  29 (2023)  6 - p. , 2023
Link: https://doi.org/10.1007/..
 
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8

Fully relativistic study of polyatomic closed-shell E121X3 ..:

de Macedo, Luiz Guilherme Machado ; Vidigal Batista, Marina ; Santos, Bianca Maia Pardini.
Computational and Theoretical Chemistry.  1229 (2023)  - p. 114298 , 2023
Link: https://doi.org/10.1016/..
 
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9

The Isotope effect study on the thermal chiral rate of comp..:

Silva, Hugo Teolfe Felipe ; de Oliveira Só, Yuri Alves ; de Souza Lucena Trindade, Matheus...
Chemical Physics.  574 (2023)  - p. 112039 , 2023
Link: https://doi.org/10.1016/..
 
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10

A Detailed Study of Electronic and Dynamic Properties of No..:

Costa, Caio Vinícius Sousa ; de Jesus, Guilherme Carlos Carvalho ; de Macedo, Luiz Guilherme Machado..
Molecules.  27 (2022)  21 - p. 7409 , 2022
Link: https://doi.org/10.3390/..
 
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11

Correction to: Fully relativistic study of polyatomic close..:

Sena Pinheiro, Alan ; Gargano, Ricardo ; dos Santos, Paulo Henrique Gomes.
Journal of Molecular Modeling.  28 (2022)  7 - p. , 2022
Link: https://doi.org/10.1007/..
 
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12

Functionalized graphene-based Quantum Dots: Promising adsor..:

de Menezes, Rafael Ferreira ; Pirani, Fernando ; Coletti, Cecilia..
Materials Today Communications.  31 (2022)  - p. 103426 , 2022
Link: https://doi.org/10.1016/..
 
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13

Relativistic four-component potential energy curves for the..:

de Macedo, Luiz Guilherme Machado ; Neves, Eric Rafael ; de Oliveira Só, Yuri Alves.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy.  245 (2021)  - p. 118869 , 2021
Link: https://doi.org/10.1016/..
 
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14

Nature and role of the weak intermolecular bond in enantiom..:

de Araujo Oliveira, Alan Leone ; de Macedo, Luiz Guilherme Machado ; de Oliveira Só, Yuri Alves...
New Journal of Chemistry.  45 (2021)  18 - p. 8240-8247 , 2021
Link: https://doi.org/10.1039/..
 
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15

Fully relativistic study of polyatomic closed shell E121X3 ..:

Pinheiro, Alan Sena ; Gargano, Ricardo ; Santos, Paulo Henrique Gomes dos.
Journal of Molecular Modeling.  27 (2021)  9 - p. , 2021
Link: https://doi.org/10.1007/..
 
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