Marco Antonio Chaer Nascimento

A Festschrift from Theoretical Chemistry Accounts

Fernando R. Ornellas, Maria João Ramos (Herausgeber)

Buch | Hardcover

V, 131 Seiten

2013
Springer Berlin (Verlag)
978-3-642-41162-5 (ISBN)

Infos

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.

Autor

Fernando R. Ornellas Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes, 748, São Paulo, 05508-000, Brazil Email: [e-mail] Maria João Ramos Requimte, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre s/n, 4169-007 Porto, Portugal Email: [e-mail]

Inhalt

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.

Produkt-Details

• Erscheint lt. Verlag: 28.10.2013
• Reihe/Serie: Highlights in Theoretical Chemistry
• Zusatzinfo: V, 131 p. 61 illus., 22 illus. in color.
• Verlagsort: Berlin
• Sprache: englisch
• Maße: 210 x 279 mm
• Gewicht: 609 g
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik
• Schlagworte: density functional theory • Photo Electrochemical Water Splitting • Proton Exchange Reactions • QM/MM study • Spectrum Simulation and Decomposition
• ISBN-10: 3-642-41162-2 / 3642411622
• ISBN-13: 978-3-642-41162-5 / 9783642411625
• Zustand: Neuware