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Inorganic Chemistry
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October 25, 2019
Pushing 3c-4e Bonds to the Limit: A Coupled Cluster Study of Stepwise Fluorination of First-Row Atoms
Vytor P Oliveira, Elfi Kraka, Francisco B C Machado
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 22, 2014
The diverse manifold of electronic states generated by a single carbon defect in a graphene sheet: multireference calculations using a pyrene defect model
Francisco B C Machado, Adélia J A Aquino, Hans Lischka
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2015
The electronic states of a double carbon vacancy defect in pyrene: a model study for graphene
Francisco B C Machado, Adélia J A Aquino, Hans Lischka
The Journal of Physical Chemistry. A
|
April 27, 2018
Direct Dynamics Simulation of the Thermal <sup>3</sup>CH<sub>2</sub> + <sup>3</sup>O<sub>2</sub> Reaction. Rate Constant and Product Branching Ratios
Sandhiya Lakshmanan, Subha Pratihar, Francisco B C Machado, et al.
ACS Omega
|
September 28, 2020
Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit
Rafael M Vichietti, Francisco B C Machado, Roberto L A Haiduke
Materials (Basel, Switzerland)
|
December 22, 2019
Metal-Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy
Vytor P Oliveira, Bruna L Marcial, Francisco B C Machado, et al.
Journal of Molecular Modeling
|
July 15, 2018
A quantitative tool to establish magic number clusters, ε<sup>3</sup>, applied in small silicon clusters, Si<sub>2-11</sub>
Gabriel F S Fernandes, Francisco B C Machado, Luiz F A Ferrão
The Journal of Chemical Physics
|
July 16, 2018
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks
Corey Petty, Rene F K Spada, Francisco B C Machado, et al.
The Journal of Physical Chemistry. A
|
December 19, 2019
Identification of Magic Numbers in Homonuclear Clusters: The ε<sup>3</sup> Stability Ranking Function
Gabriel F S Fernandes, Francisco B C Machado, Luiz F A Ferrão
Chempluschem
|
August 26, 2021
Relating Bond Strength and Nature to the Thermodynamic Stability of Hypervalent Togni-Type Iodine Compounds
Vytor Pinheiro Oliveira, Bruna Luana Marcial, Francisco B C Machado, et al.
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Search research articles
Search
Showing results (1-10 of 54) with videos related to
Sort By:
Page
of 6
Inorganic Chemistry
|
October 25, 2019
Pushing 3c-4e Bonds to the Limit: A Coupled Cluster Study of Stepwise Fluorination of First-Row Atoms
Vytor P Oliveira, Elfi Kraka, Francisco B C Machado
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 22, 2014
The diverse manifold of electronic states generated by a single carbon defect in a graphene sheet: multireference calculations using a pyrene defect model
Francisco B C Machado, Adélia J A Aquino, Hans Lischka
Physical Chemistry Chemical Physics : PCCP
|
April 24, 2015
The electronic states of a double carbon vacancy defect in pyrene: a model study for graphene
Francisco B C Machado, Adélia J A Aquino, Hans Lischka
The Journal of Physical Chemistry. A
|
April 27, 2018
Direct Dynamics Simulation of the Thermal <sup>3</sup>CH<sub>2</sub> + <sup>3</sup>O<sub>2</sub> Reaction. Rate Constant and Product Branching Ratios
Sandhiya Lakshmanan, Subha Pratihar, Francisco B C Machado, et al.
ACS Omega
|
September 28, 2020
Accurate Rate Constants for the Forward and Reverse H + CO ↔ HCO Reactions at the High-Pressure Limit
Rafael M Vichietti, Francisco B C Machado, Roberto L A Haiduke
Materials (Basel, Switzerland)
|
December 22, 2019
Metal-Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy
Vytor P Oliveira, Bruna L Marcial, Francisco B C Machado, et al.
Journal of Molecular Modeling
|
July 15, 2018
A quantitative tool to establish magic number clusters, ε<sup>3</sup>, applied in small silicon clusters, Si<sub>2-11</sub>
Gabriel F S Fernandes, Francisco B C Machado, Luiz F A Ferrão
The Journal of Chemical Physics
|
July 16, 2018
Accurate rovibrational energies of ozone isotopologues up to J = 10 utilizing artificial neural networks
Corey Petty, Rene F K Spada, Francisco B C Machado, et al.
The Journal of Physical Chemistry. A
|
December 19, 2019
Identification of Magic Numbers in Homonuclear Clusters: The ε<sup>3</sup> Stability Ranking Function
Gabriel F S Fernandes, Francisco B C Machado, Luiz F A Ferrão
Chempluschem
|
August 26, 2021
Relating Bond Strength and Nature to the Thermodynamic Stability of Hypervalent Togni-Type Iodine Compounds
Vytor Pinheiro Oliveira, Bruna Luana Marcial, Francisco B C Machado, et al.
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of 6