Marco Antonio Chaer Nascimento A Festschrift from Theoretical Chemistry Accounts / [electronic resource] :
edited by Fernando R. Ornellas, Maria Jo�ao Ramos.
- V, 131 p. 61 illus., 22 illus. in color. online resource.
- Highlights in Theoretical Chemistry, 4 2194-8666 ; .
- Highlights in Theoretical Chemistry, 4 .
From the content: Preface -- Role of step sites on water dissociation on stoichiometric ceria surfaces -- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters -- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water -- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in.
In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
9783642411632
10.1007/978-3-642-41163-2 doi
Chemistry.
Physical chemistry.
Chemistry, Physical and theoretical.
Atomic structure.
Molecular structure.
Spectra.
Chemistry.
Theoretical and Computational Chemistry.
Atomic/Molecular Structure and Spectra.
Physical Chemistry.
QD450-801
541.2
From the content: Preface -- Role of step sites on water dissociation on stoichiometric ceria surfaces -- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters -- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water -- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in.
In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
9783642411632
10.1007/978-3-642-41163-2 doi
Chemistry.
Physical chemistry.
Chemistry, Physical and theoretical.
Atomic structure.
Molecular structure.
Spectra.
Chemistry.
Theoretical and Computational Chemistry.
Atomic/Molecular Structure and Spectra.
Physical Chemistry.
QD450-801
541.2