Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry
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Published By Springer Berlin Heidelberg

9783642411625, 9783642411632

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Proton exchange reactions of C2–C4 alkanes sorbed in ZSM-5 zeolite

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_4 ◽

2013 ◽

pp. 27-38

Author(s):

Kanjarat Sukrat ◽

Daniel Tunega ◽

Adelia J. A. Aquino ◽

Hans Lischka ◽

Vudhichai Parasuk

Keyword(s):

Proton Exchange ◽

Exchange Reactions

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Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and β-scission of the propyl radical

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_7 ◽

2012 ◽

pp. 63-80

Author(s):

Marc E. Segovia ◽

Kenneth Irving ◽

Oscar N. Ventura

Keyword(s):

Density Functional ◽

Chemical Model ◽

Model Study

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CompASM: an Amber-VMD alanine scanning mutagenesis plug-in

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_8 ◽

2012 ◽

pp. 81-87 ◽

Cited By ~ 1

Author(s):

João V. Ribeiro ◽

Nuno M. F. S. A. Cerqueira ◽

Irina S. Moreira ◽

Pedro A. Fernandes ◽

Maria João Ramos

Keyword(s):

Alanine Scanning Mutagenesis ◽

Alanine Scanning

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Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_9 ◽

2012 ◽

pp. 89-102

Author(s):

Rachel Crespo-Otero ◽

Mario Barbatti

Keyword(s):

Formal Derivation ◽

Spectrum Simulation

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Some recent developments in photoelectrochemical water splitting using nanostructured TiO2: a short review

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_2 ◽

2012 ◽

pp. 7-18 ◽

Cited By ~ 1

Author(s):

Paul Szymanski ◽

Mostafa A. El-Sayed

Keyword(s):

Water Splitting ◽

Short Review ◽

Photoelectrochemical Water Splitting ◽

Nanostructured Tio2 ◽

Recent Developments

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Effects of mutations on the absorption spectra of copper proteins: a QM/MM study

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_5 ◽

2012 ◽

pp. 39-47

Author(s):

Antonio Monari ◽

Thibaut Very ◽

Jean-Louis Rivail ◽

Xavier Assfeld

Keyword(s):

Absorption Spectra ◽

Copper Proteins

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A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_11 ◽

2012 ◽

pp. 117-124

Author(s):

Rodrigo M. Gester ◽

Herbert C. Georg ◽

Tertius L. Fonseca ◽

Patricio F. Provasi ◽

Sylvio Canuto

Keyword(s):

Magnetic Shielding ◽

Simple Analysis ◽

Electronic Polarization

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Methods of continuous translation of the origin of the current density revisited

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_10 ◽

2012 ◽

pp. 103-115

Author(s):

P. Lazzeretti

Keyword(s):

Current Density

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Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_6 ◽

2012 ◽

pp. 49-62

Author(s):

Marcus V. A. Damasceno ◽

Benedito J. Costa Cabral ◽

Kaline Coutinho

Keyword(s):

Quantum Mechanics ◽

Electronic Properties ◽

Molecular Mechanics ◽

Mesityl Oxide

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Theoretical simulations of the vibrational predissociation spectra of $${\rm{H}} ^{+}_{5}$$ and $${\rm{D}}^{+}_{5}$$ clusters

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry ◽

10.1007/978-3-642-41163-2_12 ◽

2012 ◽

pp. 125-131

Author(s):

Alvaro Valdés ◽

Patricia Barragán ◽

Cristina Sanz-Sanz ◽

Rita Prosmiti ◽

Pablo Villarreal ◽

...

Keyword(s):

Vibrational Predissociation ◽

Theoretical Simulations

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Marco Antonio Chaer Nascimento - Highlights in Theoretical ChemistryLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Berlin Heidelberg

Proton exchange reactions of C2–C4 alkanes sorbed in ZSM-5 zeolite

Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and β-scission of the propyl radical

CompASM: an Amber-VMD alanine scanning mutagenesis plug-in

Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

Some recent developments in photoelectrochemical water splitting using nanostructured TiO2: a short review

Effects of mutations on the absorption spectra of copper proteins: a QM/MM study

A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water

Methods of continuous translation of the origin of the current density revisited

Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach

Theoretical simulations of the vibrational predissociation spectra of $${\rm{H}} ^{+}_{5}$$ and $${\rm{D}}^{+}_{5}$$ clusters

Marco Antonio Chaer Nascimento - Highlights in Theoretical Chemistry
Latest Publications