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The Journal of Physical Chemistry. A
|
February 3, 2025
Toward Explicit Solvation for Simulations of Electrocatalytic Reactions: AIMD for p<i>K</i><sub>a</sub> and Redox Potentials of Transition Metal Compounds and Catalyst Models
Gustavo T Feliciano, Alexander A Auer
The Journal of Physical Chemistry. B
|
July 15, 2021
Genetic Algorithms Applied to Thermodynamic Rational Design of Mimetic Antibodies Based on the GB1 Domain of Streptococcal Protein G: An Atomistic Simulation Study
Anderson A E Santo, Gustavo T Feliciano
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 9, 2025
Direct and Indirect Effects of Fe-Incorporation in Nickel(oxy)hydroxide Materials for the Electrocatalytic Oxygen Evolution Reaction - Employing Constant pH/U Models for Deeper Insights
Gustavo T Feliciano, Kalishankar Bhattacharyya, Alexander A Auer
Physical Chemistry Chemical Physics : PCCP
|
March 13, 2015
Capacitance spectroscopy and density functional theory
Paulo R Bueno, Gustavo T Feliciano, Jason J Davis
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2021
Multidimensional redox potential/p<i>K</i><sub>a</sub> coupling in multicopper oxidases from molecular dynamics: implications for the proton transfer mechanism
Anderson A E Santo, Vitor Hugo R Lazaroti, Gustavo T Feliciano
Chemsuschem
|
May 29, 2025
Experimental and Theoretical Insights into the Role of Iron in the Rapidly Fabricated Ni/Fe Electrodes for the Oxygen Evolution Reaction
Yue Wang, Gustavo T Feliciano, Ashwani Kumar, et al.
The Journal of Physical Chemistry. A
|
July 12, 2012
Molecular and electronic structure of the peptide subunit of Geobacter sulfurreducens conductive pili from first principles
Gustavo T Feliciano, Antonio J R da Silva, Gemma Reguera, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2025
The role of iron in the electronic configuration of mixed nickel iron oxides for the oxygen evolution reaction
Christopher Gort, Gustavo T Feliciano, Alexander A Auer, et al.
Biochemistry
|
March 17, 2025
Design of Mimetic Antibodies Targeting the SARS-CoV-2 Spike Glycoprotein Based on the GB1 Domain: A Molecular Simulation and Experimental Study
Anderson A E Santo, Aline Reis, Anderson A Pinheiro, et al.
Scientific Reports
|
December 5, 2015
Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene
Jariyanee Prasongkit, Gustavo T Feliciano, Alexandre R Rocha, et al.
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Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
February 3, 2025
Toward Explicit Solvation for Simulations of Electrocatalytic Reactions: AIMD for p<i>K</i><sub>a</sub> and Redox Potentials of Transition Metal Compounds and Catalyst Models
Gustavo T Feliciano, Alexander A Auer
The Journal of Physical Chemistry. B
|
July 15, 2021
Genetic Algorithms Applied to Thermodynamic Rational Design of Mimetic Antibodies Based on the GB1 Domain of Streptococcal Protein G: An Atomistic Simulation Study
Anderson A E Santo, Gustavo T Feliciano
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 9, 2025
Direct and Indirect Effects of Fe-Incorporation in Nickel(oxy)hydroxide Materials for the Electrocatalytic Oxygen Evolution Reaction - Employing Constant pH/U Models for Deeper Insights
Gustavo T Feliciano, Kalishankar Bhattacharyya, Alexander A Auer
Physical Chemistry Chemical Physics : PCCP
|
March 13, 2015
Capacitance spectroscopy and density functional theory
Paulo R Bueno, Gustavo T Feliciano, Jason J Davis
Physical Chemistry Chemical Physics : PCCP
|
December 2, 2021
Multidimensional redox potential/p<i>K</i><sub>a</sub> coupling in multicopper oxidases from molecular dynamics: implications for the proton transfer mechanism
Anderson A E Santo, Vitor Hugo R Lazaroti, Gustavo T Feliciano
Chemsuschem
|
May 29, 2025
Experimental and Theoretical Insights into the Role of Iron in the Rapidly Fabricated Ni/Fe Electrodes for the Oxygen Evolution Reaction
Yue Wang, Gustavo T Feliciano, Ashwani Kumar, et al.
The Journal of Physical Chemistry. A
|
July 12, 2012
Molecular and electronic structure of the peptide subunit of Geobacter sulfurreducens conductive pili from first principles
Gustavo T Feliciano, Antonio J R da Silva, Gemma Reguera, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2025
The role of iron in the electronic configuration of mixed nickel iron oxides for the oxygen evolution reaction
Christopher Gort, Gustavo T Feliciano, Alexander A Auer, et al.
Biochemistry
|
March 17, 2025
Design of Mimetic Antibodies Targeting the SARS-CoV-2 Spike Glycoprotein Based on the GB1 Domain: A Molecular Simulation and Experimental Study
Anderson A E Santo, Aline Reis, Anderson A Pinheiro, et al.
Scientific Reports
|
December 5, 2015
Theoretical assessment of feasibility to sequence DNA through interlayer electronic tunneling transport at aligned nanopores in bilayer graphene
Jariyanee Prasongkit, Gustavo T Feliciano, Alexandre R Rocha, et al.
Page
of 2