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Francisco Bolivar Correto Machado

CV Lattes ResearcherID ORCID


Ministério da Defesa (Brasil). Instituto Tecnológico de Aeronáutica (ITA). Divisão de Ciências Fundamentais (IEF)  (Institutional affiliation for the last research proposal)
Birthplace: Brazil

bachelor's at Química from Faculdade de Filosofia Ciencia e Letras de Ribeirão Preto Usp (1981), master's at Chemistry from Universidade de São Paulo (1985) and doctorate at Chemistry from Universidade de São Paulo (1990). Has experience in Chemistry, focusing on Theorical Chemistry, acting on the following subjects: constantes espectroscópicas, ab initio, cinética química, dft and espectroscopia eletrônica. (Source: Lattes Curriculum)

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Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (45)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

Publications44
Citations159
Cit./Article3.6
Data from Web of Science

FERREIRA, RHAYLA MENDES; ROBERTO-NETO, ORLANDO; MACHADO, FRANCISCO B. C.; SPADA, RENE F. K.. Reply to ``Comment on `Thermochemical and Kinetics of the CH3OH+(S-4)N Reactional System'''. Journal of Physical Chemistry A, v. 123, n. 4, p. 967-969, . Web of Science Citations: 0. (17/07707-3)

VICHIETTI, RAFAEL; SPADA, RENE F. K.; DA SILVA, ALBERICO B. F.; MACHADO, FRANCISCO B. C.; HAIDUKE, ROBERTO L. A.. A Proposal for the Mechanism of the CH + CO2 Reaction. ACS OMEGA, v. 4, n. 18, p. 17843-17849, . Web of Science Citations: 0. (19/07671-4, 17/07707-3, 10/18743-1, 18/05691-5, 14/23714-1)

FERNANDES, GABRIEL F. S.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. A quantitative tool to establish magic number clusters, epsilon(3), applied in small silicon clusters, Si2-11. Journal of Molecular Modeling, v. 24, n. 8, . Web of Science Citations: 3. (17/01359-3, 17/07707-3)

PINHEIRO, JR., MAX; CARDOSO, DANIELY V. V.; AQUINO, ADELIA J. A.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS. The characterization of electronic defect states of single and double carbon vacancies in graphene sheets using molecular density functional theory. Molecular Physics, v. 117, n. 9-12, SI, p. 1519-1531, . Web of Science Citations: 0. (12/11857-7, 17/07707-3, 17/50157-4)

VICHIETTI, R. M.; SPADA, R. F. K.; DA SILVA, A. B. F.; MACHADO, F. B. C.; HAIDUKE, R. L. A.. THE H-2 + CO <-> H2CO REACTION: RATE CONSTANTS AND RELEVANCE TO HOT AND DENSE ASTROPHYSICAL MEDIA. ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, v. 225, n. 1, . Web of Science Citations: 2. (14/25734-0, 14/23714-1, 14/24155-6, 10/18743-1)

NIEMAN, REED; DAS, ANITA; AQUINO, ADELIA J. A.; AMORIM, RODRIGO G.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS. Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogen. Chemical Physics, v. 482, n. SI, p. 346-354, . Web of Science Citations: 5. (14/24155-6, 15/50018-9)

VICHIETTI, R. M.; SPADA, R. F. K.; DA SILVA, A. B. F.; MACHADO, F. B. C.; HAIDUKEL, R. L. A.. Implications of the (H2O)(n) + CO <-> trans-HCOOH + (H2O)(n-1) (n=1, 2, and 3) reactions for primordial atmospheres of Venus and Earth. Monthly Notices of the Royal Astronomical Society, v. 475, n. 3, p. 3191-3200, . Web of Science Citations: 2. (14/23714-1, 17/07707-3, 10/18743-1)

CARDOSO, DANIELY V. V.; CUNHA, LEONARDO A.; SPADA, RENE F. K.; PETTY, COREY A.; FERRAO, LUIZ F. A.; ROBERTO-NETO, ORLANDO; MACHADO, FRANCISCO B. C.. Thermochemical and Kinetics of CH3SH + H Reactions: The Sensitivity of Coupling the Low and High-Level Methodologies. Journal of Physical Chemistry A, v. 121, n. 2, p. 419-428, . Web of Science Citations: 5. (14/25734-0, 12/11857-7, 14/24155-6, 14/14470-1)

OLIVEIRA, VYTOR P.; MARCIAL, BRUNA L.; MACHADO, FRANCISCO B. C.; KRAKA, ELFI. Metal-Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy. MATERIALS, v. 13, n. 1, . Web of Science Citations: 0. (18/13673-7)

MOURA, SILIO LIMA; FERNANDES, GABRIEL FREIRE SANZOVO; MACHADO, FRANCISCO BOLIVAR CORRETO; FERRAO, LUIZ FERNANDO ARAUJO. Theoretical and experimental electronic spectra of neutral, monoprotonated and diprotonated dapsone. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 3, . Web of Science Citations: 0. (17/07707-3, 19/03729-8, 18/22669-3)

PETRY PONTES, MARCELO ANDRE; CORRETO MACHADO, FRANCISCO BOLIVAR; ROBERTO-NETO, ORLANDO; DE ARAUJO FERRAO, LUIZ FERNANDO. Soot precursors in farnesane and n-dodecane decomposition: A computational approach. FUEL, v. 268, . Web of Science Citations: 0. (17/07707-3, 19/03729-8)

MILANEZ, BRUNO D.; CHAGAS, V, JULIO C.; PINHEIRO JR, MAX; AQUINO, ADELIA J. A.; LISCHKA, HANS; MACHADO, FRANCISCO B. C.. Effects on the aromaticity and on the biradicaloid nature of acenes by the inclusion of a cyclobutadiene linkage. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 7, . Web of Science Citations: 0. (19/25105-6, 17/50157-4)

MACHADO, FRANCISCO B. C.; RESENDE, STELLA MARIS; ORNELLAS, FERNANDO R.. What is so mysterious about the electronic states of SCl?. Molecular Physics, v. 100, n. 6, p. 699-704, .

SHI, BAIMEI; NACHTIGALLOVA, DANA; AQUINO, ADELIA J. A.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS. Excited states and excitonic interactions in prototypic polycyclic aromatic hydrocarbon dimers as models for graphitic interactions in carbon dots. Physical Chemistry Chemical Physics, v. 21, n. 18, p. 9077-9088, . Web of Science Citations: 2. (17/07707-3, 17/50157-4)

LAKSHMANAN, SANDHIYA; SPADA, RENE F. K.; MACHADO, FRANCISCO B. C.; HASE, WILLIAM L.. Potential Energy Curves for Formation of the CH2O2 Criegee Intermediate on the (CH2)-C-3 + O-3(2) Singlet and Triplet Potential Energy Surfaces. Journal of Physical Chemistry A, v. 123, n. 41, p. 8968-8975, . Web of Science Citations: 0. (19/07671-4, 17/07707-3)

OLIVEIRA, VYTOR P.; KRAKA, ELFI; MACHADO, FRANCISCO B. C.. Pushing 3c-4e Bonds to the Limit: A Coupled Cluster Study of Stepwise Fluorination of First-Row Atoms. Inorganic Chemistry, v. 58, n. 21, p. 14777-14789, . Web of Science Citations: 0. (18/13673-7, 17/07707-3)

VICHIETTI, R. M.; SPADA, R. F. K.; DA SILVA, A. B. F.; MACHADO, F. B. C.; HAIDUKE, R. L. A.. Could HCN Be Responsible for the Formamide Synthesis in Earth?s Primitive Atmosphere?. ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, v. 245, n. 1, . Web of Science Citations: 0. (19/07671-4, 17/07707-3, 14/23714-1, 18/05691-5, 10/18743-1)

FERNANDES, GABRIEL F. S.; PONTES, MARCELO A. P.; FARIA, JR., ULISSES J.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Multireference study of ionic/covalent electronic states of MF (M = Be, Mg and Ca). SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 233, . Web of Science Citations: 0. (17/07707-3, 19/03729-8, 18/22669-3)

LISCHKA, HANS; SHEPARD, RON; MUELLER, THOMAS; SZALAY, PETER G.; PITZER, RUSSELL M.; AQUINO, ADELIA J. A.; ARAUJO DO NASCIMENTO, MAYZZA M.; BARBATTI, MARIO; BELCHER, LACHLAN T.; BLAUDEAU, JEAN-PHILIPPE; et al. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. Journal of Chemical Physics, v. 152, n. 13, . Web of Science Citations: 0. (19/07671-4, 17/50157-4)

PINHEIRO, JR., MAX; DAS, ANITA; AQUINO, ADELIA J. A.; LISCHKA, HANS; MACHADO, FRANCISCO B. C.. Interplay between Aromaticity and Radicaloid Character in Nitrogen-Doped Oligoacenes Revealed by High-Level Multireference Methods. Journal of Physical Chemistry A, v. 122, n. 49, p. 9464-9473, . Web of Science Citations: 1. (17/07707-3, 17/50157-4)

SHI, BAIMEI; NACHTIGALLOVA, DANA; AQUINO, ADELIA J. A.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS. High-level theoretical benchmark investigations of the UV-vis absorption spectra of paradigmatic polycyclic aromatic hydrocarbons as models for graphene quantum dots. Journal of Chemical Physics, v. 150, n. 12, . Web of Science Citations: 3. (17/07707-3, 17/50157-4)

PETTY, COREY; SPADA, RENE F. K.; MACHADO, FRANCISCO B. C.; POIRIER, BILL. Accurate rovibrational energies of ozone isotopologues up to J=10 utilizing artificial neural networks. Journal of Chemical Physics, v. 149, n. 2, . Web of Science Citations: 2. (16/50485-9, 17/07707-3, 14/14470-1, 16/05615-1)

FERREIRA, RHAYLA MENDES; ROBERTO-NETO, ORLANDO; MACHADO, FRANCISCO B. C.; SPADA, RENE F. K.. Thermochemical and Kinetics of the CH3OH + (S-4)N Reactional System. Journal of Physical Chemistry A, v. 122, n. 28, p. 5905-5910, . Web of Science Citations: 2. (17/07707-3)

FERNANDES, GABRIEL F. S.; PINHEIRO JUNIOR, MAX; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Stability and Reactivity of Silicon Magic Numbers Doped with Aluminum and Phosphorus Atoms. Journal of Physical Chemistry A, v. 123, n. 1, p. 247-256, . Web of Science Citations: 2. (17/01359-3, 17/07707-3)

MOURA, SILIO LIMA; DOS SANTOS JUNIOR, JOSE RIBEIRO; CORRETO MACHADO, FRANCISCO BOLIVAR; KAWACHI, ELIZABETE YOSHIE; DE ARAUJO FERRAO, LUIZ FERNANDO. Conductive organic polymers: An electrochemical route for the polymerization of dapsone. Journal of Electroanalytical Chemistry, v. 757, p. 230-234, . Web of Science Citations: 3. (14/24155-6)

SPADA, RENE F. K.; FERRAO, LUIZ F. A.; ROBERTO-NETO, ORLANDO; LISCHKA, HANS; MACHADO, FRANCISCO B. C.. Thermochemical and Kinetics of Hydrazine Dehydrogenation by an Oxygen Atom in Hydrazine-Rich Systems: A Dimer Model. Journal of Physical Chemistry A, v. 119, n. 51, p. 12607-12614, . Web of Science Citations: 2. (14/25734-0, 14/24155-6, 15/50018-9)

SILVA, NADEESHA J.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS; AQUINO, ADELIA J. A.. pi-pi stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions. Physical Chemistry Chemical Physics, v. 18, n. 32, p. 22300-22310, . Web of Science Citations: 12. (15/50018-9)

MACHADO, FRANCISCO B. C.; AQUINO, ADELIA J. A.; LISCHKA, HANS. The electronic states of a double carbon vacancy defect in pyrene: a model study for graphene. Physical Chemistry Chemical Physics, v. 17, n. 19, p. 12778-12785, . Web of Science Citations: 12. (13/02972-0)

MACHADO, FRANCISCO B. C.; AQUINO, ADELIA J. A.; LISCHKA, HANS. The Diverse Manifold of Electronic States Generated by a Single Carbon Defect in a Graphene Sheet: Multireference Calculations Using a Pyrene Defect Model. ChemPhysChem, v. 15, n. 15, SI, p. 3334-3341, . Web of Science Citations: 6. (13/02972-0)

SPADA, RENE F. K.; FERRAO, LUIZ F. A.; ROCHA, ROBERTA J.; IHA, KOSHUN; ROCCO, JOSE A. F. F.; ROBERTO-NETO, ORLANDO; LISCHKA, HANS; MACHADO, FRANCISCO B. C.. Hydrogen Abstraction from the Hydrazine Molecule by an Oxygen Atom. Journal of Physical Chemistry A, v. 119, n. 9, p. 1628-1635, . Web of Science Citations: 7. (13/02972-0, 11/11303-9)

LIMA MOURA, SILIO; MARTINEZ FAJARDO, LAURA; CUNHA, LEONARDO DOS ANJOS; TABOADA SOTOMAYOR, MARIA DEL PILAR; CORRETO MACHADO, FRANCISCO BOLIVAR; ARAUJO FERRAO, LUIZ FERNANDO; ISABEL PIVIDORI, MARIA. Theoretical and experimental study for the biomimetic recognition of levothyroxine hormone on magnetic molecularly imprinted polymer. BIOSENSORS & BIOELECTRONICS, v. 107, p. 203-210, . Web of Science Citations: 10. (14/50945-4, 17/07707-3, 14/25264-3)

PONTES, MARCELO A. P.; DE OLIVEIRA, MARCOS H.; FERNANDES, GABRIEL F. S.; DA MOTTA NETO, JOAQUIM D.; FERRAO, LUIZ F. A.; MACHADO, FRANCISCO B. C.. The low-lying quartet electronic states of group 14 diatomic borides XB (X=C, Si, Ge, Sn, Pb). JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, v. 209, p. 156-163, . Web of Science Citations: 2. (17/01359-3, 17/07707-3)

PINHEIRO, JR., MAX; FERRAO, LUIZ F. A.; BETTANIN, FERNANDA; AQUINO, ADELIA J. A.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS. How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen. Physical Chemistry Chemical Physics, v. 19, n. 29, p. 19225-19233, . Web of Science Citations: 6. (14/24155-6, 15/50018-9)

PELEGRINI, MARINA; PARREIRA, RENATO L. T.; FERRAO, LUIZ F. A.; CARAMORI, GIOVANNI F.; ORTOLAN, ALEXANDRE O.; DA SILVA, EDER H.; ROBERTO-NETO, ORLANDO; ROCCO, JOSE A. F. F.; MACHADO, FRANCISCO B. C.. Hydrazine decomposition on a small platinum cluster: the role of N2H5 intermediate. THEORETICAL CHEMISTRY ACCOUNTS, v. 135, n. 3, . Web of Science Citations: 3. (12/50666-2, 11/07623-8, 14/24155-6)

SHI, BAIMEI; NACHTIGALLOVA, DANA; AQUINO, ADELIA J. A.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS. Emission Energies and Stokes Shifts for Single Polycyclic Aromatic Hydrocarbon Sheets in Comparison to the Effect of Excimer Formation. Journal of Physical Chemistry Letters, v. 10, n. 18, p. 5592-5597, . Web of Science Citations: 0. (17/07707-3, 17/50157-4)

DAS, ANITA; PINHEIRO, JR., MAX; MACHADO, FRANCISCO B. C.; AQUINO, ADELIA J. A.; LISCHKA, HANS. Tuning the Biradicaloid Nature of Polycyclic Aromatic Hydrocarbons: The Effect of Graphitic Nitrogen Doping in Zethrenes. ChemPhysChem, v. 19, n. 19, p. 2492-2499, . Web of Science Citations: 3. (17/07707-3, 17/50157-4)

FERNANDES, GABRIEL F. S.; PONTES, MARCELO A. P.; DE OLIVEIRA, MARCOS H.; FERRAO, LUIZ F. A.; MACHADO, FRANCISCO B. C.. The low-lying states of AlC and GaC: Molecular constants, transition probabilities and radiative lifetime. Chemical Physics Letters, v. 687, p. 171-177, . Web of Science Citations: 1. (17/07707-3)

CUNHA, LEONARDO A.; FERRAO, LUIZ F. A.; MACHADO, FRANCISCO B. C.; PINHEIRO, JR., MAX. On the importance of non-covalent interactions for porous membranes: unraveling the role of pore size. Physical Chemistry Chemical Physics, v. 20, n. 30, p. 20124-20131, . Web of Science Citations: 1. (17/07707-3)

LAKSHMANAN, SANDHIYA; PRATIHAR, SUBHA; MACHADO, FRANCISCO B. C.; HASE, WILLIAM L.. Direct Dynamics Simulation of the Thermal (CH2)-C-3 + O-3(2) Reaction. Rate Constant and Product Branching Ratios. Journal of Physical Chemistry A, v. 122, n. 21, p. 4808-4818, . Web of Science Citations: 3. (17/07707-3)

VICHIETTI, RAFAEL MARIO; KEIDEL SPADA, RENE FELIPE; FERREIRA DA SILVA, ALBERICO BORGES; CORRETO MACHADO, FRANCISCO BOLIVAR; ANDRADE HAIDUKE, ROBERTO LUIZ. Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO <-> HCOOH Reactions. CHEMISTRYSELECT, v. 2, n. 24, p. 7267-7272, . Web of Science Citations: 2. (14/23714-1, 17/07707-3, 10/18743-1)

LISCHKA, HANS; NACHTIGALLOVA, DANA; AQUINO, ADELIA J. A.; SZALAY, PETER G.; PLASSER, FELIX; MACHADO, FRANCISCO B. C.; BARBATTI, MARIO. Multireference Approaches for Excited States of Molecules. CHEMICAL REVIEWS, v. 118, n. 15, SI, p. 7293-7361, . Web of Science Citations: 43. (17/07707-3, 17/50157-4)

POWELL, ANDREW D.; DATTANI, NIKESH S.; SPADA, RENE F. K.; MACHADO, FRANCISCO B. C.; LISCHKA, HANS; DAWES, RICHARD. Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI. Journal of Chemical Physics, v. 147, n. 9, . Web of Science Citations: 5. (15/50018-9)

BETTANIN, FERNANDA; FERRAO, LUIZ F. A.; PINHEIRO, JR., MAX; AQUINO, ADELIA J. A.; LISCHKA, HANS; MACHADO, FRANCISCO B. C.; NACHTIGALLOVA, DANA. Singlet L-a and L-b Bands for N-Acenes (N=2-7): A CASSCF/CASPT2 Study. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 13, n. 9, p. 4297-4306, . Web of Science Citations: 9. (14/24155-6, 15/50018-9)

FERNANDES, GABRIEL F. S.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Identification of Magic Numbers in Homonuclear Clusters: The epsilon(3) Stability Ranking Function. Journal of Physical Chemistry A, v. 124, n. 2, p. 454-463, . Web of Science Citations: 0. (17/07707-3, 19/03729-8, 18/22669-3)

PINHEIRO, JR., MAX; MACHADO, FRANCISCO B. C.; PLASSER, FELIX; AQUINO, ADELIA J. A.; LISCHKA, HANS. A systematic analysis of excitonic properties to seek optimal singlet fission: the BN-substitution patterns in tetracene. JOURNAL OF MATERIALS CHEMISTRY C, v. 8, n. 23, p. 7793-7804, . Web of Science Citations: 0. (19/25105-6, 17/50157-4)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

PELEGRINI, Marina. Estudo teórico da estrutura molecular, da espectroscopia vibracional e da reatividade de hidrazinas e aminas.  144 f. Tese (Doutorado) -  Ministério da Defesa.  Brasil.  São José dos Campos.  (02/13350-5

PELEGRINI, Marina. Caracterização do estado fundamental de moléculas diatômicas.  172 f. Dissertação (Mestrado) -  Ministério da Defesa.  Brasil.  São José dos Campos.  (00/12527-3

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