Marco Antonio Chaer Nascimento - A Festschrift from Theoretical Chemistry Accounts

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.

Sommario

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.

Info autore

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]

Dettagli sul prodotto

• Con la collaborazione di: João Ramos (Editore), João Ramos (Editore), Maria João Ramos (Editore), Fernando Ornellas (Editore), Fernando R. Ornellas (Editore), Fernand R Ornellas (Editore), Fernando R Ornellas (Editore)
• Editore: Springer, Berlin
• Lingue: Inglese
• Formato: Tascabile
• Pubblicazione: 01.01.2016
• EAN: 9783662525029
• ISBN: 978-3-662-52502-9
• Pagine: 131
• Dimensioni: 210 mm x 7 mm x 279 mm
• Peso: 361 g
• Illustrazioni: V, 131 p. 61 illus., 22 illus. in color.
• Serie: Highlights in Theoretical Chemistry; Highlights in Theoretical Chemistry
• Categorie: Scienze naturali, medicina, informatica, tecnica > Chimica > Chimica teorica; B, Chemistry and Materials Science, Nuclear physics, Physical Chemistry, Atomic structure, Molecular structure, Atomic/Molecular Structure and Spectra, Atomic and Molecular Structure and Properties, Theoretical and Computational Chemistry, Chemistry, Physical and theoretical, Theoretical Chemistry