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Moura Jr., Renaldo T.
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1

Exploring Jahn-Teller distortions: a local vibrational mode..:

Quintano, Mateus ; Moura Jr., Renaldo T. ; Kraka, Elfi
Journal of Molecular Modeling.  30 (2024)  4 - p. , 2024
Link: https://doi.org/10.1007/..
 
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2

Exploring Trans Effect Concept in Pt(II) Complexes through ..:

Santos‐Jr, Carlos V. ; Da Silva, Gabriela M. B. ; Dias, Roberta P...
Advanced Theory and Simulations.  7 (2024)  5 - p. , 2024
Link: https://doi.org/10.1002/..
 
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3

Exploring Trans Effect Concept in Pt(II) Complexes through ..:

Santos‐Jr, Carlos V. ; Da Silva, Gabriela M. B. ; Dias, Roberta P...
Advanced Theory and Simulations.  7 (2024)  5 - p. , 2024
Link: https://doi.org/10.1002/..
 
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4

Chemical bonding in Uranium‐based materials: A local vibrat..:

Bodo, Filippo ; Erba, Alessandro ; Kraka, Elfi.
Journal of Computational Chemistry.  45 (2024)  14 - p. 1130-1142 , 2024
Link: https://doi.org/10.1002/..
 
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5

Europium(III) coordination chemistry: structure, spectra an..:

Thor, Waygen ; Carneiro Neto, Albano N. ; Moura Jr., Renaldo T...
Coordination Chemistry Reviews.  517 (2024)  - p. 215927 , 2024
Link: https://doi.org/10.1016/..
 
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6

Luminescence properties of lanthanide tetrakis complexes as..:

Costa, Israel F. ; Blois, Lucca ; Paolini, Tiago B....
Coordination Chemistry Reviews.  502 (2024)  - p. 215590 , 2024
Link: https://doi.org/10.1016/..
 
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7

Local vibrational mode theory meets graph theory: Complete ..:

Quintano, Mateus ; Moura Jr., Renaldo T. ; Kraka, Elfi
Chemical Physics Letters.  849 (2024)  - p. 141416 , 2024
Link: https://doi.org/10.1016/..
 
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8

Decoding Chemical Bonds: Assessment of the Basis Set Effect..:

Santos Jr., Carlos V. ; Monteiro, Shirlene A. ; Soares, Amanda S. C...
The Journal of Physical Chemistry A.  127 (2023)  38 - p. 7997-8014 , 2023
Link: https://doi.org/10.1021/..
 
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9

The influence of imidazolium counterions on the luminescenc..:

Paolini, Tiago B. ; Assunção, Israel P. ; Costa, Israel F....
Journal of Luminescence.  263 (2023)  - p. 120158 , 2023
Link: https://doi.org/10.1016/..
 
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10

Adaptive guided stochastic optimization: A novel approach f..:

Santos-Jr., Carlos V. ; Aguiar, Eduardo C. ; Carneiro Neto, Albano N..
Optical Materials: X.  20 (2023)  - p. 100275 , 2023
Link: https://doi.org/10.1016/..
 
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11

Quantum Mechanical Assessment of Protein–Ligand Hydrogen Bo..:

Madushanka, Ayesh ; Moura Jr., Renaldo T. ; Verma, Niraj.
International Journal of Molecular Sciences.  24 (2023)  7 - p. 6311 , 2023
Link: https://doi.org/10.3390/..
 
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12

Linear versus Bent Uranium(II) Metallocenes─A Local Vibrati..:

Peluzo, Bárbara M. T. C. ; Makoś, Małgorzata Z. ; Moura Jr., Renaldo T...
Inorganic Chemistry.  62 (2023)  31 - p. 12510-12524 , 2023
Link: https://doi.org/10.1021/..
 
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13

Shedding Light on Eu(III) β‐Diketonate Compounds with 1,2‐B..:

Santos, Paulo R. S. ; Jesus, Ashley A. S. S. ; Lima, William B....
European Journal of Inorganic Chemistry.  27 (2023)  4 - p. , 2023
Link: https://doi.org/10.1002/..
 
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14

The pKa rule in light of local mode force constants:

Quintano, Mateus ; Moura Jr., Renaldo T. ; Kraka, Elfi
Chemical Physics Letters.  826 (2023)  - p. 140654 , 2023
Link: https://doi.org/10.1016/..
 
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15

Modeling the Eu(III)-to-Cr(III) Energy Transfer Rates in Lu..:

Coelho, Jorge A. A. ; Moura Jr., Renaldo T. ; Longo, Ricardo L...
Inorganics.  11 (2023)  1 - p. 38 , 2023
Link: https://doi.org/10.3390/..
 
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