Você sente ou já sentiu dificuldade em enxergar moléculas em 3D? Como se isso não bastasse, acha difícil detectar planos, eixos de rotação e outros elementos de simetria de uma molécula?

E quanto aos espectros, como os de IR e NMR? Acha complicado utilizar aqueles Handbooks enormes e pesados para compará-los com os de referências, ou ainda fazer atribuições de bandas?

Se você passou por tudo isso sem a ajuda desse software, não fique triste. Agora você pode ter estas e muitas outras ferramentas de análise, busca e processamento de espectros que, com certeza, serão muito úteis nos seus estudos e trabalhos técnico-científicos.

Por outro lado, caso esteja iniciando seus estudos nestes tópicos, não perca a oportunidade de torná-los mais facilmente compreensíveis.

Acesse o site www.eccen.com.br/biorad/kiau para saber mais detalhes sobre este aplicativo!

Divulgue essa novidade entre seus professores e peça para eles utilizarem essa ferramenta em suas aulas!

A UNICAMP e a USP já possuem o KnowItAll U.

Você vai querer ficar fora dessa?

Download

In this document, we define a data exchange format initially formulated from discussions of an International Union of Pure and Applied Chemistry (IUPAC) limited-term task group at the 35th Royal Society of Chemistry-ESR conference in Aberdeen 2002. The definition of this format is based on the IUPAC Joint Committee on Atomic and Molecular Physical Data Exchange (JCAMPDX) protocols, which were developed for the exchange of infrared spectra and extended to chemical structures, nuclear magnetic resonance data, mass spectra, and ion mobility spectra. This standard of the JCAMP-DX was further extended to cover year 2000 compatible date strings and good laboratory practice, and the next release will cover the information needed for storing n-dimensional data sets. The aim of this paper is to adapt JCAMP-DX to the special requirements for electron magnetic resonance (EMR).

Pure & Appl. Chem., Vol. 78, No. 3, p. 613–631, 2006
© 2006 IUPAC
IUPAC permission is acknowledged

Download

The relatively young field of ion mobility spectrometry has now advanced to the stage where the need to reliably exchange the spectroscopic data obtained worldwide by this technique has become extremely urgent. To assist in the validation of the various new spectrometer designs and to assist in inter-comparisons between different laboratories reference data collections are being established for which an internationally recognized electronic data exchange format is essential.
To make the data exchange between users and system administration possible, it is important to define a file format specially made for the requirements of ion mobility spectrometry. The format should be computer readable and flexible enough for extensive comments to be included. In this document, we define a data exchange format, agreed on by a working group of the International Society for Ion Mobility Spectrometry at Hilton Head Island, USA (1998) and Buxton, UK (1999).
This definition of this format is based on the IUPAC JCAMP-DX protocols, which were developed for the exchange of infrared spectra [1] and extended to chemical structures [2], nuclear magnetic resonance data [3], and mass spectra [4].
This standard of the Joint Committee on Atomic and Molecular Physical Data is of a flexible design. The International Union of Pure and Applied Chemistry have taken over the support and development of these standards and recently brought out an extension to cover year 2000 compatible date strings and good laboratory practice [5]. The aim of this paper is to adapt JCAMP-DX to the special requirements of ion mobility spectra [6].

Pure & Appl. Chem., Vol. 73, No. 11, p. 1765–1782, 2001
© 2001 IUPAC
IUPAC permission is acknowledged