Marco Antonio Chaer Nascimento A Festschrift from Theoretical Chemistry Accounts /

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Ornellas, Fernando R. (Επιμελητής έκδοσης), João Ramos, Maria (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014.
• Σειρά: Highlights in Theoretical Chemistry, 4
• Θέματα: 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...

Πίνακας περιεχομένων:

• 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.