Título |
Autores |
Seção |
Vol-Ed |
Acessos |
Percentual |
| 1 |
New Perspectives on the Role of Frontier Molecular Orbitals in the Study of Chemical Reactivity: A Review |
Douglas Henrique Pereira, Felipe A. La Porta, Regis Tadeu Santiago, Danielle R. Garcia, Teodorico C. Ramalho |
Artigos |
8-2 |
6878 |
0.18% |
| 2 |
Quantum Theory: An Approach Quantized on its Evolution - Part I |
Fernanda K. C. Félix, Pedro G. B. Bonfim, Lucas S. S. Santos, Douglas Henrique Pereira |
Artigos |
8-2 |
5356 |
0.14% |
| 3 |
Kinetic Mechanism Study of Reaction C2H + C2H2 via TST |
Washington B. da Silva, Alessandra F. Albernaz |
Artigos |
8-2 |
3933 |
0.1% |
| 4 |
Development of a Program to Calculate Vibrational Scale Factor |
David Wesley A. da Silva, Francisco Romário L. Belém, Diniz M. de Sena Jr. |
Artigos |
8-2 |
3333 |
0.09% |
| 5 |
Chemical Reactivity Indices of the Caffeine Molecule |
Antonio L. de Almeida, Luane P. G. Barbosa, Rebeca L. Santos, Joao B. L. Martins |
Artigos |
8-2 |
3166 |
0.08% |
| 6 |
Quercetin Ameliorate Oxidative/Nitrosative Stress in The Brain of Rats Exposed to Intermittent Hypobaric Hypoxia |
Irina Camelia Chiş, Doina Baltaru, Anca Dumitrovici, Andrei Coseriu, Bogdan Cristian Radu, Remus Moldovan, Adriana Mureşan |
Artigos |
8-2 |
3139 |
0.08% |
| 7 |
Predicting New Pathways for the Reaction CN + C2H2 |
Washington B. da Silva, Ricardo Gargano, Geraldo M. e Silva, Alessandra F. Albernaz |
Artigos |
8-2 |
3083 |
0.08% |
| 8 |
Hyperspherical Coordinate Potential Energy Surface for the He3 Complex |
Alessandra Ferreira Albernaz, Patrícia R. P. Barreto |
Artigos |
8-2 |
2708 |
0.07% |
| 9 |
Strategies to Reduce the Computational Cost of the Ground State and the First Excited State Geometry Optimization of Organic Molecules |
Kamilla F. Cândido, Simone S. Ramalho, Wiliam F. da Cunha, Demétrio A. da Silva Filho |
Artigos |
8-2 |
2676 |
0.07% |
| 10 |
Special Issue in Electronics Structure and Molecular Dynamics |
Joao B. L. Martins, José Walkimar M. C |
Editorial |
8-2 |
2466 |
0.06% |
| 11 |
Intramolecular Proton Transfer in the Excited State (ESIPT) Process: Applications in Fluorescent Probes |
Eduardo P. da Rocha, Teodorico C. Ramalho |
Artigos |
8-2 |
2429 |
0.06% |
| 12 |
Study of relative stability of tautomeric forms of phenylbutazone and calculation of UV-Vis and ECD spectra |
Aguinaldo R. de Souza, Valdecir F. Ximenes, Nelson H. Morgon |
Artigos |
8-2 |
2319 |
0.06% |
| 13 |
Optimization of Cutoff Parameters Using DFT Periodic Calculations for (110) Rutile and (101) Anatase TiO2 Surfaces |
Marcos R. Vargas, Elton Anderson S. de Castro, José Roberto S. Politi, Joao B. L. Martins |
Artigos |
8-2 |
2176 |
0.06% |
| 14 |
Theoretical Study of Modeling Parameters for the Non-Polar Zinc Oxide Surface |
Italo P. de Lima, Joao B. L. Martins |
Artigos |
8-2 |
2003 |
0.05% |
| 15 |
Interaction between Apocynin Dimer and Cyclodextrin |
Aguinaldo R. de Souza, Nelson H. Morgon |
Artigos |
8-2 |
1973 |
0.05% |
| 16 |
A Quantum Chemical and Chemometrical Study of Styrylbenzylsulfones and their Analogues with Citotoxic Activity against Prostate Cancer Cells |
Daiane L. dos Santos, Camila B. Paula, Valter Henrique Carvalho-Silva, Ademir J. Camargo, Lilian T. F. M. Camargo |
Artigos |
8-2 |
1935 |
0.05% |
| 17 |
Theoretical Studies of Oligomers Used in the Composition of Photovoltaic Cells or Organic Lighting Emitting Diodes |
Simone S. Ramalho, Kamilla F. Cândido, Alessandra Albernaz |
Artigos |
8-2 |
1916 |
0.05% |
| 18 |
Experimental and Theoretical Study of the Interaction of N-2-(4-Amine-1.6-Dihydro-1-Methyl-5-Nitroso-6-Oxopirimidinil) Tris-(2-Aminoethyl) Amine with Carbon Nanotube |
Maiko S. Feitosa, Daniel Augusto B. de Oliveira, Rafael Dionisio López-Garzón, Maria L. Godino-Salido |
Artigos |
8-2 |
1627 |
0.04% |
| 19 |
Theoretical Study of 23 Covalent States of the F2 Molecule by Relativistic Methodology MRCI 4 Components |
Alan R. S. Lima, Joao Augusto P. da Rocha, Davi Henrique T. Amador, Luiz G. M. de Macedo |
Artigos |
8-2 |
1514 |
0.04% |
| 20 |
Analysis of the 001 Reflection of Nickel-Fluorohectorite by Synchrotron X-Ray Diffraction |
Jeane S. de Oliveira, Leander E. Michels, Marcelo Henrique Sousa, Jon Otto Fossum, Geraldo José da Silva, Kleber Carlos Mundim, Luciano Ribeiro |
Artigos |
8-2 |
1489 |
0.04% |
