omitir hasta el contenido
Computational strategies for spectroscopy : from small molecules to nano systems Ver este material de antemano
CerrarVer este material de antemano
Chequeando…

Computational strategies for spectroscopy : from small molecules to nano systems

Autor: Vincenzo Barone, Dr.
Editorial: Hoboken, N.J. : John Wiley & Sons, ©2012.
Edición/Formato:   Libro-e : Documento : Inglés (eng)Ver todas las ediciones y todos los formatos
Base de datos:WorldCat
Resumen:
Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and  Leer más
Calificación:

(todavía no calificado) 0 con reseñas - Ser el primero.

Temas
Más materiales como éste

 

Encontrar un ejemplar en línea

Enlaces a este material

Encontrar un ejemplar en la biblioteca

&AllPage.SpinnerRetrieving; Encontrando bibliotecas que tienen este material…

Detalles

Género/Forma: Electronic books
Formato físico adicional: Print version:
Computational strategies for spectroscopy
Hoboken, N.J. : John Wiley & Sons, c2012
(DLC) 2010041044
(OCoLC)670211442
Tipo de material: Documento, Recurso en Internet
Tipo de documento: Recurso en Internet, Archivo de computadora
Todos autores / colaboradores: Vincenzo Barone, Dr.
ISBN: 9781118008706 1118008707
Número OCLC: 764498836
Descripción: 1 online resource (xiii, 594 p.) : ill.
Contenido: Pt. 1. Electronic and spin states --
pt. 2A. Effects related to nuclear motions : time-independent models --
pt. 2B. Effects related to nuclear motions : time-dependent models. Introduction to Electron Paramagnetic Resonance / Marina Brustolon and Sabine Van Doorslaer --
Challenge of Optical Spectroscopies / Ermelinda M. S. Maçôas --
Quest for Accurate Models: Some Challenges From Gas-Phase Experiments on Medium-Size Molecules and Clusters / Maurizio Becucci and Giangaetano Pietraperzia --
PART I ELECTRONIC AND SPIN STATES --
1 UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods / Roberto Improta --
2 Response Function Theory Computational Approaches to Linear and Nonlinear Optical Spectroscopy / Antonio Rizzo, Sonia Coriani, and Kenneth Ruud --
3 Computational X-Ray Spectroscopy / Vincenzo Carravetta and Hans Ågren --
4 Magnetic Resonance Spectroscopy: Singlet and Doublet Electronic States / Alfonso Pedone and Orlando Crescenzi --
5 Application of Computational Spectroscopy to Silicon Nanocrystals: Tight-Binding Approach / Fabio Trani --
PART IIA EFFECTS RELATED TO NUCLEAR MOTIONS: TIME-INDEPENDENT MODELS --
6 Computational Approach to Rotational Spectroscopy / Cristina Puzzarini --
7 Time-Independent Approach to Vibrational Spectroscopies / Chiara Cappelli and Malgorzata Biczysko --
8 Time-Independent Approaches to Simulate Electronic Spectra Lineshapes: From Small Molecules to Macrosystems / Malgorzata Biczysko, Julien Bloino, Fabrizio Santoro, and Vincenzo Barone --
PART IIB EFFECTS RELATED TO NUCLEAR MOTIONS: TIME-DEPENDENT MODELS --
9 Efficient Methods for Computation of Ultrafast Time- and Frequency-Resolved Spectroscopic Signals / Maxim F. Gelin, Wolfgang Domcke, and Dassia Egorova --
10 Time-Dependent Approaches to Calculation of Steady-State Vibronic Spectra: From Fully Quantum to Classical Approaches / Alessandro Lami and Fabrizio Santoro --
11 Computational Spectroscopy by Classical Time-Dependent Approaches / Giuseppe Brancato and Nadia Rega --
12 Stochastic Methods for Magnetic Resonance Spectroscopies / Antonino Polimeno, Vincenzo Barone, and Jack H. Freed.
Responsabilidad: edited by Vincenzo Barone.

Resumen:

Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.

Reseñas

Reseñas contribuidas por usuarios
Recuperando reseñas de GoodReads…
Recuperando reseñas de DOGObooks…

Etiquetas

Ser el primero.

Materiales similares

Temas relacionados:(3)

Listas de usuarios con este material (1)

  • Books(12 material)
    por akf49 Actualizado 2014-04-09
Confirmar este pedido

Ya ha pedido este material. Escoja OK si desea procesar el pedido de todos modos.

Datos enlazados


<http://www.worldcat.org/oclc/764498836>
library:oclcnum"764498836"
library:placeOfPublication
library:placeOfPublication
owl:sameAs<info:oclcnum/764498836>
rdf:typeschema:Book
schema:about
schema:about
schema:about
schema:about
schema:about
schema:bookFormatschema:EBook
schema:contributor
schema:copyrightYear"2012"
schema:datePublished"2012"
schema:description"Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource."@en
schema:description"Introduction to Electron Paramagnetic Resonance / Marina Brustolon and Sabine Van Doorslaer -- Challenge of Optical Spectroscopies / Ermelinda M. S. Maçôas -- Quest for Accurate Models: Some Challenges From Gas-Phase Experiments on Medium-Size Molecules and Clusters / Maurizio Becucci and Giangaetano Pietraperzia -- PART I ELECTRONIC AND SPIN STATES -- 1 UV-Visible Absorption and Emission Energies in Condensed Phase by PCM/TD-DFT Methods / Roberto Improta -- 2 Response Function Theory Computational Approaches to Linear and Nonlinear Optical Spectroscopy / Antonio Rizzo, Sonia Coriani, and Kenneth Ruud -- 3 Computational X-Ray Spectroscopy / Vincenzo Carravetta and Hans Ågren -- 4 Magnetic Resonance Spectroscopy: Singlet and Doublet Electronic States / Alfonso Pedone and Orlando Crescenzi -- 5 Application of Computational Spectroscopy to Silicon Nanocrystals: Tight-Binding Approach / Fabio Trani -- PART IIA EFFECTS RELATED TO NUCLEAR MOTIONS: TIME-INDEPENDENT MODELS -- 6 Computational Approach to Rotational Spectroscopy / Cristina Puzzarini -- 7 Time-Independent Approach to Vibrational Spectroscopies / Chiara Cappelli and Malgorzata Biczysko -- 8 Time-Independent Approaches to Simulate Electronic Spectra Lineshapes: From Small Molecules to Macrosystems / Malgorzata Biczysko, Julien Bloino, Fabrizio Santoro, and Vincenzo Barone -- PART IIB EFFECTS RELATED TO NUCLEAR MOTIONS: TIME-DEPENDENT MODELS -- 9 Efficient Methods for Computation of Ultrafast Time- and Frequency-Resolved Spectroscopic Signals / Maxim F. Gelin, Wolfgang Domcke, and Dassia Egorova -- 10 Time-Dependent Approaches to Calculation of Steady-State Vibronic Spectra: From Fully Quantum to Classical Approaches / Alessandro Lami and Fabrizio Santoro -- 11 Computational Spectroscopy by Classical Time-Dependent Approaches / Giuseppe Brancato and Nadia Rega -- 12 Stochastic Methods for Magnetic Resonance Spectroscopies / Antonino Polimeno, Vincenzo Barone, and Jack H. Freed."@en
schema:description"Pt. 1. Electronic and spin states -- pt. 2A. Effects related to nuclear motions : time-independent models -- pt. 2B. Effects related to nuclear motions : time-dependent models."@en
schema:exampleOfWork<http://worldcat.org/entity/work/id/1046161974>
schema:genre"Electronic books."@en
schema:inLanguage"en"
schema:name"Computational strategies for spectroscopy from small molecules to nano systems"@en
schema:numberOfPages"594"
schema:publisher
schema:url<http://lib.myilibrary.com?id=333196>
schema:url
schema:url<http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=407810>
schema:url<http://onlinelibrary.wiley.com/book/10.1002/9781118008720>
schema:url<http://dx.doi.org/10.1002/9781118008720>
schema:url<http://site.ebrary.com/id/10512887>
schema:workExample

Content-negotiable representations

Cerrar ventana

Inicie una sesión con WorldCat 

¿No tienes una cuenta? Puede fácilmente crear una cuenta gratuita.