Marco Antonio Chaer Nascimento A Festschrift from Theoretical Chemistry Accounts /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Ornellas, Fernando R. (Editor), João Ramos, Maria (Editor)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014.
• Series: Highlights in Theoretical Chemistry, 4
• Subjects: Chemistry.; Physical chemistry.; Chemistry, Physical and theoretical.; Atomic structure.; Molecular structure.; Spectra.; Theoretical and Computational Chemistry.; Atomic/Molecular Structure and Spectra.; Physical Chemistry.

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...

Table of Contents:

• 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.