Marco Antonio Chaer Nascimento
Springer Berlin (Verlag)
978-3-662-52502-9 (ISBN)
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: frornell@usp.br 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: mjramos@fc.up.pt
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.
| Erscheinungsdatum | 29.08.2016 |
|---|---|
| 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 |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik | |
| Schlagworte | Atomic/Molecular Structure and Spectra • Chemistry and Materials Science • density functional theory • nuclear physics • Photo Electrochemical Water Splitting • Physical Chemistry • Proton Exchange Reactions • QM/MM study • Quantum and theoretical chemistry • Spectrum Simulation and Decomposition • theoretical and computational chemistry |
| ISBN-10 | 3-662-52502-X / 366252502X |
| ISBN-13 | 978-3-662-52502-9 / 9783662525029 |
| Zustand | Neuware |
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