FTNMR Free Induction Decay Archive

FTNMR Free Induction Decay Archive

Chemistry online Resources

Link - http://rainier.chem.plu.edu/fid_archive.html

"In this archive you will find ¹H and ¹³C NMR free induction decay (FID) files of small organic molecules. The FID's in this archive were acquired on the 300 MHz broad band FTNMR spectrometer at Pacific Lutheran University and are available in the formats described below. This data is provided free as a service to the educational community. If you download and use this data we ask that you acknowledge the Pacific Lutheran University FTNMR FID Archive. Thank you.

A special section of this archive is dedicated to the NMR spectra used in Solomons and Fryhle Organic Chemistry, 7th Edition (John Wiley & Sons, Inc., New York, ©2000). The Solomons and Fryhle section of the archive is provided in cooperation with John Wiley & and Sons, Inc.

Free induction decay files may be downloaded for processing and viewing in either NUTS ( Acorn NMR) or Felix for Windows (Molecular Simulations, Inc.) format. Either program can be configured as a viewer in your WWW browser.

Another feature of the PLU FID Archive is a searchable database of 94 processed ¹H spectra in NUTS format, complete with structure image files. This feature has been provided by Acorn NMR and is available from the PLU chemistry ftp site (ftp.chem.plu.edu). The spectra and image files are compressed in a single 9.2 megabyte .zip file. Instructions for downloading and handling the .zip file are here. "[1]

1.http://rainier.chem.plu.edu/fid_archive.html

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NMR online workbook

NMR online workbook

Chemistry online Resources

Link - http://www.nd.edu/~smithgrp/structure/workbook.html

"This online workbook has been developed for senior undergraduate and graduate students learning to solve the structures of organic compounds from spectroscopic data. Most problems contain an IR spectrum (film or KBr pellet), a 500 MHz ¹H NMR spectrum, a 125 MHz ¹³C NMR spectrum, and a 70 eV electron ionization Mass Spectrum. In the ¹H NMR spectra, the phrase "exchanges" means that shaking the NMR solution with D₂O resulted in loss of the signal due to H/D exchange."[1]

1.http://www.nd.edu/~smithgrp/structure/workbook.html

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NMR at Widener University

NMR at Widener University

Chemistry online Resources

Link - http://science.widener.edu/svb/nmr/nmr.html

"This site includes

• An outline of the talk.
• Descriptions of some Freely distribueted software programs I have found useful for teaching.
• Descriptions of the commercial NMR software I have tried out.
• Mathcad documents that I have developed for teaching NMR concepts.
• NMR Data from Advanced Spectroscopy at Widener Unviersity that highlights several NMR concepts.
• Links to NMR sites on the Internet.
• Details of the NMR Concepts Listserv.

Use of some of the information on theis web site requires the use of helper applicaitons. These are already installed in the student laboratories at Widener. Others will have to install these helper applications to make full use of this site. More information about helper applications used here."[1]

1. http://science.widener.edu/svb/nmr/nmr.html

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WebSpectra - Problems in NMR and IR Spectroscopy

WebSpectra - Problems in NMR and IR Spectroscopy

Chemistry online Resources

Link - http://www.chem.ucla.edu/~webspectra/


"This site was established to provide chemistry students with a library of spectroscopy problems. Interpretation of spectra is a technique that requires practice - this site provides ¹H NMR and ¹³C NMR, DEPT, COSY and IR spectra of various compounds for students to interpret. Hopefully, these problems will provide a useful resource to better understand spectroscopy.
Analytical Inorganic Organic Physical"[1]
1.http://www.chem.ucla.edu/~webspectra/

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The Spectroscopy Net . Com

The Spectroscopy Net . Com

Chemistry online Resources

Link - http://www.thespectroscopynet.com/

The Spectroscopy Net is an informal Web site for all aspects of Optical (Atomic) Emission Spectrometry. Those seeking other spectroscopies, in particular we have lots of requests for atomic absorption spectroscopy, might try to come back later again as we constantly work on this site to cover more aspects of Spectrometry. We have opend the The Spectroscopy Net for contributions by the Experienced Researchers and Early Stage Researchers of the Marie Curie RTN Gladnet to give them the possibility of informing the public about their research interests and to get training in writing scientific contributions dedicated to the general public. In particular the participants of the training courses organised by Gladnet are encouraged to write a small topic on the training lectures.

The Spectrocopy Net was designed by Dr Richard Payling to bring emission spectrometry to the web, to support practitioners, and to provide an informal exchange of information. Richard was Manager of Surface Analytical, Consultant to Horiba Jobin-Yvon France and Conjoint Associate Professor of Physics, The University of Newcastle, NSW 2380, Australia.

The world of Light, of Sun and Stars, of Atoms and Chemical Analysis. The Spectroscopy Net is an open, free resource for Spectroscopists everywhere and everyone interested in Atomic Spectroscopy.

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spectroscopyNOW.com

spectroscopyNOW.com

Chemistry online Resources

Link - http://www.spectroscopynow.com/coi/cda/home.cda?chId=0

The free online resource for the spectroscopy community


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Interactive Computer Models for Analytical Chemistry Instruction

Interactive Computer Models for Analytical Chemistry Instruction

Chemistry online Resources

Link - http://terpconnect.umd.edu/~toh/models/

"This is a collection of free, downloadable, interactive computer models and simulations of common analytical instruments and techniques. Most have a point-and-click interface; you click buttons and drag sliders to control variables and the model responds dynamically, often much faster than real time. I originally designed these models for students in my courses in Instrumental Analysis (an upper-division undergraduate laboratory course) and Spectrochemical Methods (a graduate lecture course). They were designed to be used by individual students either as homework assignments, for in-class use in a computer lab environment, in the laboratory for the analysis of student-generated data, or as a temporary replacement for unavailable laboratory equipment. They can also be used by the instructor in lecture-demonstration environments. Student assignment handouts and suggested experiments are attached to most of them. The mathematical basis for each model is described, including all cell definitions and equations. These spreadsheets make extensive use of named cells (variables), which makes the equations easier to understand (as compared to row-colunm references)'[1].
1.http://terpconnect.umd.edu/~toh/models/

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Analytical Chemistry Cross-Index

Analytical Chemistry Cross-Index

Chemistry online Resources

Link - http://www.chemistry.vt.edu/chem-ed/ac-basic.html

"This index provides an introduction to some of the fundamental concepts and methods of analytical chemistry. The topics are arranged in the order in which they are commonly presented in an undergraduate analytical chemistry course"[1].
1.http://www.chemistry.vt.edu/chem-ed/ac-basic.html

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Great Scientists - Documentry about Aristotle

Great Scientists - Documentry about Aristotle

Aristotle (Greek: Ἀριστοτέλης Aristotélēs) (384 BC – 322 BC) was a Greek philosopher, a student of Plato and teacher of Alexander the Great. He wrote on many subjects, including physics, metaphysics, poetry, theater, music, logic, rhetoric, politics, government, ethics, biology and zoology.

Together with Plato and Socrates (Plato's teacher), Aristotle is one of the most important founding figures in Western philosophy. He was the first to create a comprehensive system of Western philosophy, encompassing morality and aesthetics, logic and science, politics and metaphysics. Aristotle's views on the physical sciences profoundly shaped medieval scholarship, and their influence extended well into the Renaissance, although they were ultimately replaced by modern physics. In the biological sciences, some of his observations were only confirmed to be accurate in the nineteenth century. His works contain the earliest known formal study of logic, which were incorporated in the late nineteenth century into modern formal logic. In metaphysics, Aristotelianism had a profound influence on philosophical and theological thinking in the Islamic and Jewish traditions in the Middle Ages, and it continues to influence Christian theology, especially Eastern Orthodox theology, and the scholastic tradition of the Roman Catholic Church. All aspects of Aristotle's philosophy continue to be the object of active academic study today.

Though Aristotle wrote many elegant treatises and dialogues (Cicero described his literary style as "a river of gold"), it is thought that the majority of his writings are now lost and only about one third of the original works have survived.

He was a keen systematic collector of riddles, folklore, and proverbs; he and his school had a special interest in the riddles of the Delphic Oracle and studied the fables of Aesop.

Watch It.....

Uncertainty principle - BBC Documentary

Uncertainty principle - BBC Documentary

Best Science Online Documentaries

In quantum physics, the Heisenberg uncertainty principle states that the values of certain pairs of conjugate variables (position and momentum, for instance) cannot both be known with arbitrary precision. That is, the more precisely one variable is known, the less precisely the other is known. This is not a statement about the limitations of a researcher's ability to measure particular quantities of a system, but rather about the nature of the system itself[1].
1.http://en.wikipedia.org/wiki/Uncertainty_principle

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Mineralogy Database

Mineralogy Database

Chemistry online Resources

Link - http://www.webmineral.com/

"Mineral data for individual species are linked to mineral tables by crystallography, crystal structures, X-Ray powder diffraction, chemical composition, physical and optical properties, Dana's New classification, Strunz classification, mineral specimen images, and alphabetical listings of mineral species. There also are extensive links to other external sources of mineral data and information"[1].
1.http://www.webmineral.com/

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XRayView

XRayView - Chemistry Software

Chemistry online Resources

XRayView, G. N. Phillips Lab, supported by W. M. Keck Foundation. a Teaching Aid for X-ray Crystallography

XRayView : A Virtual X-Ray Crystallography Laboratory

Link - http://phillips-lab.biochem.wisc.edu/software.html

"This software uses interactive computer graphics to introduce basic concepts of X-ray diffraction by crystals, including the reciprocal lattice, the Ewald sphere construction, Laue cones, the wavelength dependence of the reciprocal lattice, primitive and centered lattices and systematic extinctions, rotation photography, Laue photography, space group determination and Laue group symmetry, and the alignment of crystals by examination of reciprocal space.

XRayView is designed with "user-friendliness" in mind, using Motif style, pull-down menus to control the program. Many of the experiences of using real X-ray diffraction equipment to examine crystalline diffraction can be simulated. Exercises are available on-line to guide the users through typical X-ray diffraction experiments"[1].
1.http://phillips-lab.biochem.wisc.edu/software.html

XRayPlot

Link - http://phillips-lab.biochem.wisc.edu/software.html

"XRayPlot allows plots of arbitrary planes of diffraction data given the space group symmetry, the unit cell dimensions, and a list of intensities or structure factor amplitudes with their associated hkl indices"[1].
1.http://phillips-lab.biochem.wisc.edu/software.html

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Crystal structure analysis

Crystal structure analysis

Chemistry online Resources

Internet Course: Structure Determination by Powder Diffractometry (SDPD), Universite du Maine, France. Learn how to determine a crystal structure from powder diffraction data with experts help

Link - http://sdpd.univ-lemans.fr/course/index.html

The SDPD (Structure Determination by Powder Diffractometry) Internet Course is accomplished in 10 sessions, exclusively on Internet and asynchronous. Students are expected to work at least 8 hours per week on the documents and exercises sent by e-mail. The diploma is attributed after a final examination consisting in the structure determination of an unknown compound in 2 weeks.

Various teaching material prepared by A. D. Hunter, A. D. Hunter. Includes a student friendly lab manual on using the SHELXTL (and to a lesser extent SHELX) package of single-crystal programs to solve routine crystal structures. Also available at http://www.as.ysu.edu/~adhunter/YSUSC/index.html

Link - http://www.as.ysu.edu/~adhunter/Teaching/Chem832/index.html

Practical Guide to Solving Single Crystal Structures, Manuel A. Fernandes. Guide to solving crystal structures using WinGX together with other well know crystallographic packages such as Platon and Mercury

Link - http://www.gh.wits.ac.za/manuel/solving-xtals/

"This webpage hosts a guide to solving crystal structures using WinGX together with other well know crystallographic packages such as Platon and Mercury. Currently Chapter 1 (describing the theory behind crystallography at a very basic level) is missing and will be added later. This was however covered in the lectures and can be found in any crystallography text book. In addition, a fifth chapter describing the structure solution of disordered structures still has be added"[1].
1.http://www.gh.wits.ac.za/manuel/solving-xtals/

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Mathematical techniques in Powder diffraction

Mathematical techniques in Powder diffraction

Chemistry online Resources

Pepinsky's Machine, N. M. Glykos. A teaching aid to illustrate the principles and the application of the Fourier series in crystallography

Link - http://utopia.duth.gr/~glykos/pepinsky.html

• "Pepinsky's Machine is free software and you are encouraged to use, copy, modify, and distribute both the program and its documentation (PDF, 1.1 MBytes).


• If you ever need to reference this program in your publications (but note that you are not required -at least by me- to do so), please use the following citation : Glykos, N.M. (1999), "Pepinsky's Machine : an interactive, graphics-based Fourier synthesis program with applications in teaching and research.", J. Appl. Crystallogr., 32, 821-823.
  Electronic reprint (660 KBytes) : Local copy, or directly from J. Appl. Cryst. 32, 821-823, FREE ITEM, Copyright © International Union of Crystallography"[1].
  

1.http://utopia.duth.gr/~glykos/pepinsky.html

Statistical Descriptors in Crystallography, D. Schwarzenbach et al. Reports of a working group appointed by the IUCr Nomenclature Committee

Link - http://ww1.iucr.org/comm/cnom/statdes/preface.html

This document provides an authoratitive statement of the use of statistics in crystallography. The document contains a Glossary of statistical terms and sections on the following topics:

• Basic notions
• Uncertainty of measurement
• Refinement
• Refinement on I, |F|² or |F|?
• Defects in the model
• Weighting schemes
• Recommendations

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Worked examples in the Geometry of Crystals - PDF Book

Worked examples in the Geometry of Crystals - PDF Book

Chemistry online Resources

Worked examples in the Geometry of Crystals, H. K. D. H. Bhadeshia. The book deals with the mathematical crystallography of materials. It is intended for use by students and by anyone interested in phase transformations or interfaces.

Link - http://www.msm.cam.ac.uk/phase-trans/2001/crystal.html

Worked examples in the Geometry of Crystals, the 2nd edition, published in 2001 (updated 2006), is now available for free download from this site.

Other Free PDF Books In this site

• Crystal Plasticity
• Bainite
• α'+α_b
• Alloying

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Powder diffraction - Crystallography

Powder diffraction - Crystallography

Chemistry online Resources

Advanced Certificate in Powder Diffraction on the Web, Birkbeck College, University of London.

Link - http://pd.chem.ucl.ac.uk/pd/welcome.htm

"As a result of the transfer of the Industrial Materials Group in the School of Crystallography, Birkbeck College, London (BBK) to the Department of Chemistry, University College, London (UCL), it has been decided to make the contents of this course openly available given the different emphasis in teaching methods at UCL. Consequently, the course material is now hosted on http://img.chem.ucl.ac.uk/"[1].
1. http://pd.chem.ucl.ac.uk/pd/welcome.htm

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Symmetry

Symmetry

Chemistry online Resources

Escher Web Sketch, W. Hardecker and G. Chapuis. A program for drawing 2D periodic patterns with a web browser.

Link - http://www.iucr.org/education/resources/edu_2008_2

Escher Web Sketch allows you to draw repeating patterns. You can select the symmetry of the patterns by clicking on one of the icons in the bar above the drawing area. The drawing tools are selected from the icon bar under the drawing area. You can also change the pattern size and placement with the Modify cell button. The right hand side of the drawing area is reserved for each drawing tool's usage. Typically it changes the pen size and color.

An Interactive Course on Symmetry and Analysis of Crystal Structure by Diffraction, G. Chapuis and W. Hardecker.
Link - http://escher.epfl.ch/eCrystallography/1.html

An interactive course, freely available on Internet for the presentation of basic crystallography concepts

Discovering Symmetry, Nicolas Schoeni and Gervais Chapuis. An applet to discover the point group symmetry of platonic and other polyhedra

Link - http://www.iucr.org/education/resources/edu_2008_54

Point groups and Bravais Lattices, Marc De Graef.

Link - http://www.iucr.org/education/resources/edu_2008_55

Symmetry and Space Group Tutorial, Jerry P. Jasinski and Bruce M. Foxman.

Link - http://www.iucr.org/education/resources/edu_2008_57

Symmetry Tutorial, Dean H. Johnston, Otterbein College. Includes a symmetry challenge and symmetry gallery

Link - http://symmetry.otterbein.edu/

Welcome to the world of symmetry! The resources contained within this web site are designed to help students learn concepts of molecular symmetry and to help faculty teach concepts of molecular symmetry. The materials are designed for a variety of levels, so look around and see what we have to offer. Choose from the following pages:


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Crystallography Open Database

Crystallography Open Database

Chemistry online Resources

Link - http://www.crystallography.net/index.php

All data on this site have been placed in the public domain by the contributors

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ChemSpider

ChemSpider

Chemistry online Resources

Link - http://www.chemspider.com/

"ChemSpider is a free access service providing a structure centric community for chemists. Providing access to millions of chemical structures and integration to a multitude of other online services ChemSpider is the richest single source of structure-based chemistry information"[1].
1.http://www.chemspider.com/

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AffinDB - affinity data for protein-ligand complexes

AffinDB - affinity data for protein-ligand complexes

Chemistry online Resources

Link - http://pc1664.pharmazie.uni-marburg.de/affinity/index.php

"The Affinity Database 'AffinDB' contains affinity data for protein-ligand complexes of the PDB. Its purpose is to provide direct and free access to the experimental affinity of a given complex structure.
As of Wednesday, December 03rd, 2008, AffinDB contains 748 affinity values covering 474 different PDB complexes. More than one affinity value may be associated with a single PDB complex, which is most frequently due to multiple references reporting affinity data for the same complex"[1].
1.http://pc1664.pharmazie.uni-marburg.de/affinity/index.php

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WebReactions - Organic Chemistry

WebReactions - Organic Chemistry

Chemistry online Resources

Link - http://webreactions.net/index.html

In WebReactions the database entries are taxonomically indexed with these successively nested subheadings:

• rigorous digital generalization of the reaction class and type
• the nature of substitution surrounding the reaction center
• the nature of entering and/or leaving groups
• features in the reactant which remain unchanged in the reaction

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Organic Syntheses

Organic Syntheses

Chemistry online Resources

Link - http://www.orgsyn.org/

"Since 1921, Organic Syntheses has provided the chemistry community with annual collections of detailed, reliable, and carefully checked procedures for the synthesis of organic compounds. Some procedures describe practical methods for the preparation of specific compounds of interest, while other procedures illustrate important synthetic methods with general utility. Each procedure is written in considerably more detail as compared to typical experimental procedures in other journals, and each reaction and all characterization data has been carefully "checked" for reproducibility in the laboratory of a member of the Board of Editors"[1].
1.http://www.orgsyn.org/

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BRENDA - Enzyme Database

BRENDA - Enzyme Database

Chemistry Online Resources

Link - http://www.brenda-enzymes.info/

"BRENDA is the main collection of enzyme functional data available to the scientific community. It is available free of charge for via the internet (www.brenda-enzymes.info) and as an in-house database for commercial users (requests to our distributor Biobase).
BRENDA is maintained and developed at the Institute of Biochemistry and Bioinformatics at the Technical University of Braunschweig, Germany. Data on enzyme function are extracted directly from the primary literature by scientists holding a degree in Biology or Chemistry. Formal and consistency checks are done by computer programs, each data set on a classified enzyme is checked manually by at least one biologist and one chemist.

It should be mentioned here that the data are extracted from literature and critically evaluated by qualified scientists. On the other hand the original authors' nomenclature for enzyme forms and subunits is retained as is their nomenclature for organisms and strains even if the organism is reclassified in the meantime. In order to keep the tables concise redundant information is avoided as far as possible (e.g. if Km values are measured in the presence of an obvious cosubstrate, only the name of the cosubstrate is given in parentheses as a commentary without reference to its specific role)"[1].
1.http://www.brenda-enzymes.info/

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Biochemical Pathways Database under C@ROL

Biochemical Pathways Database under C@ROL

Chemistry Online Resources

Link - http://www2.chemie.uni-erlangen.de/services/biopath/index.html

"BioPath is a database of biochemical pathways that provides access to metabolic transformations and cellular regulations derived from the Roche Applied Science "Biochemical Pathways" wall chart.

BioPath contains a library of cross-linked biochemical molecules and reactions. All structure and reaction information is stored on an atomic level allowing the direct access to all atoms and bonds of all metabolites and to the bonds broken and made during an enzymatic reaction.

BioPath is designed to support scientists to understand the impact of gene regulations on biological systems for drug target identification and provides the following features:

• 1,175 molecules with connection tables including stereochemical information
• 1,545 biochemical reactions stoichiometrically balanced, with marked reaction centers and atom-atom mapping numbers between educts and products
• 1,000 unique enzymes represented by names and EC numbers
• 202 pathways represented by names
• Covered organism: prokaryotes, plants, yeasts and animals, general pathways
• Subcellular localization of pathways (cytosol, chloroplasts, mitochondria, ...)"[1]

1.http://www2.chemie.uni-erlangen.de/services/biopath/index.html

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IUPAC-NIST Solubility Database

IUPAC-NIST Solubility Database

Chemistry Online Resources

Link - http://srdata.nist.gov/solubility/intro.aspx

"A database containing solubilities originally published in the IUPAC (International Union for Pure and Applied Chemistry) - NIST Solubility Data Series is now available online.

Mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems are presented. Typical solvents and solutes include water, sea water, heavy water, inorganic compounds, and a variety of organic compounds such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters and nitrogen compounds. For many systems, sufficient data were available to allow critical evaluation. Data are expressed as mass and mole fractions as well as the originally reported units"[1].
1.http://srdata.nist.gov/solubility/intro.aspx

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Computational Chemistry Comparison and Benchmark DataBase

Computational Chemistry Comparison and Benchmark DataBase

Chemistry Online Resources

Link - http://cccbdb.nist.gov/default.htm

The CCCBDB (Computational Chemistry Comparison and Benchmark DataBase) contains links to Experimental and computational thermochemical data for a selected set of 788 gas-phase atoms and molecules.
Tools for comparing experimental and computational ideal-gas thermochemical properties.

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ChemBank

ChemBank - Database

Chemistry Online Resources

Link - http://chembank.broad.harvard.edu/

"ChemBank is a public, web-based informatics environment created by the Broad Institute's Chemical Biology Program and funded in large part by the National Cancer Institute's Initiative for Chemical Genetics (ICG). This knowledge environment includes freely available data derived from small molecules and small-molecule screens, and resources for studying the data so that biological and medical insights can be gained. ChemBank is intended to guide chemists synthesizing novel compounds or libraries, to assist biologists searching for small molecules that perturb specific biological pathways, and to catalyze the process by which drug hunters discover new and effective medicines.

ChemBank stores an increasingly varied set of cell measurements derived from, among other biological objects, cell lines treated with small molecules. Analysis tools are available and are being developed that allow the relationships between cell states, cell measurements and small molecules to be determined. Currently, ChemBank stores information on hundreds of thousands of small molecules and hundreds of biomedically relevant assays that have been performed at the ICG in collaborations involving biomedical researchers worldwide. These scientists have agreed to perform their experiments in an open data-sharing environment.

The goals of ChemBank are to provide life scientists unfettered access to biomedically relevant data and tools heretofore available almost exclusively in the private sector. We intend for ChemBank to be a planning and discovery tool for chemists, biologists, and drug hunters anywhere, with the only necessities being a computer, access to the Internet, and a desire to extract knowledge from public experiments whose greatest value is likely to reside in their collective sum"[1].
1.http://chembank.broad.harvard.edu/

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DrugBank

DrugBank - Database

Chemistry Online Resources

Link - http://www.drugbank.ca/index.html

"The DrugBank database is a unique bioinformatics and cheminformatics resource that combines detailed drug (i.e. chemical, pharmacological and pharmaceutical) data with comprehensive drug target (i.e. sequence, structure, and pathway) information. The database contains nearly 4800 drug entries including >1,350 FDA-approved small molecule drugs, 123 FDA-approved biotech (protein/peptide) drugs, 71 nutraceuticals and >3,243 experimental drugs. Additionally, more than 2,500 non-redundant protein (i.e. drug target) sequences are linked to these FDA approved drug entries. Each DrugCard entry contains more than 100 data fields with half of the information being devoted to drug/chemical data and the other half devoted to drug target or protein data"[1].
1.http://www.drugbank.ca/index.html

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Chemical Structure Lookup Service 2008

Chemical Structure Lookup Service 2008

Chemistry Online Resources

Link - http://cholla.chemnavigator.com/cgi-bin/lookup/search

Release 09/2008: search in 57 million indexed structures from over 100 databases (40 million unique structures)

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Compendium of Pesticide Common Names

Compendium of Pesticide Common Names

Chemistry Online Resources

Link - http://www.alanwood.net/pesticides/

"For purposes of trade, registration and legislation, and for use in popular and scientific publications, pesticides need names that are short, distinctive, non-proprietary and widely-accepted. Systematic chemical names are rarely short and are not convenient for general use, and so standards bodies assign common names to the active ingredients of pesticides. More than 1100 of these official pesticide names have been assigned by the International Organization for Standardization (ISO), in accordance with an established system of nomenclature.

This Compendium is believed to be the only place where all of the ISO-approved standard names of chemical pesticides are listed. It also includes approved names from national and international bodies for pesticides that do not have ISO names"[1].
1.http://www.alanwood.net/pesticides/

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ChemExper Chemical Directory

ChemExper Chemical Directory

Chemistry Online Resources

Link - http://www.chemexper.com/

"The ChemExper Chemical Directory displays information about chemicals (physical and chemical characteristics, structure, MSDS and more.) on the Internet in order to create a world-wide database. It is free to consult and easily accessible over the Internet on any computer using a web browser. The ChemExper Chemical Directory contains for now over 200,000 different chemicals, 10,000 MSDS and over 10,000 IR spectra. The directory can be searched by registry number, molecular formula, chemical name or synonyms in different languages as well as by physical and chemical characteristics and combinations of those data. The ChemExper Chemical Directory may also be searched by substructure"[1].
1.http://www.chemexper.com/

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BioCyc Open Chemical Database

BioCyc Open Chemical Database

Chemistry Online Resources

Link - http://biocyc.org/open-compounds.shtml

"The BioCyc Open Chemical Database (BOCD) is a collection of chemical compound data from the BioCyc databases. Most of the compounds act as substrates in enzyme-catalyzed metabolic reactions, but some compounds serve as enzyme activators, inhibitors, or cofactors. Chemical structures are provided for the majority of compounds. The compounds include extensive lists of synonyms, and have undergone several types of quality control, including validation by a reaction-balance checker applied to the BioCyc databases.

Unlike other DBs in the BioCyc collection, BOCD is not a full Pathway/Genome Database. It contains only chemical compounds. It is also not species specific"[1].
1.http://biocyc.org/open-compounds.shtml

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NIST Chemistry WebBook

NIST Chemistry WebBook

Chemistry online Resources

Link - http://webbook.nist.gov/chemistry/

"This site provides thermochemical, thermophysical, and ion energetics data compiled by NIST under the Standard Reference Data Program.

The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.

The NIST Chemistry WebBook was developed in part with funds from the Systems Integration for Manufacturing Applications (SIMA) program at NIST"[1].
1.http://webbook.nist.gov/chemistry/


Analytical Inorganic Organic Physical

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eMolecules

eMolecules - Chem Google

Chemistry online Resources

Link - http://www.emolecules.com/

Find Suppliers and Information for over 10 Million Unique Chemicals!.

Analytical Inorganic Organic Physical

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ZINC - Database

ZINC - Database

Chemistry online Resources

Link - http://zinc.docking.org/

Welcome to ZINC, a free database of commercially-available compounds for virtual screening. ZINC contains over 8 million purchasable compounds in ready-to-dock, 3D formats. ZINC is provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF). To cite ZINC, please reference: Irwin and Shoichet, J. Chem. Inf. Model. 2005;45(1):177-82 PDF, DOI. We thank NIGMS for financial support (GM71896).

• Jun 18: ZINC 8 is now the official release - please take the survey.
• Older versions: ZINC 7 (2007), ZINC 6 (2006), ZINC 5 (2005).

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PubChem

PubChem - Database

Chemistry online Resources

Link - http://pubchem.ncbi.nlm.nih.gov/

PubChem provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative. If you would like to learn more about how to use the PubChem resources, please go to our help page.

PubChem Compound: Search unique chemical structures using names, synonyms or keywords. Links to available biological property information are provided for each compound.

PubChem Substance: Search deposited chemical substance records using names, synonyms or keywords. Links to biological property information and depositor web sites are provided.

PubChem BioAssay: Search bioassay records using terms from the bioassay description, for example "cancer cell line". Links to active compounds and bioassay results are provided.

Structure Search: Search PubChem's Compound database using a chemical structure as the query. Structures may be sketched or specified by SMILES, MOL files, or other formats.


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AMP Tools: Databases

AMP Tools : Databases

Chemistry online Resources

Link - http://www.cfa.harvard.edu/amp/tools.html

Databases maintained by CfA

Kurucz Atomic Linelist: data from Kurucz CD-ROM 23

• European Server (Click on #5 Kurucz-Data)
• Kurucz CD-ROM 18

• other Kurucz data (maintained by R. L. Kurucz)

KELLY: Atomic and Ionic UV/VUV Linelist

ATOMDB: Chanda X-Ray Center atomic database for X-ray plasma spectral modelling.

Line ID tool (also lists information about selected atomic transitions)

CfA Molecular Data: VUV cross sections, energy levels and wavelengths (ASCII files)

HITRAN molecular spectroscopy database

SAO Molecular Line Database for Aeronomy 10 cm^-1 to 800 cm^-1.

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Basic Liquid Chromatography

Basic Liquid Chromatography - Analytical

Chemistry online Resources

Link - http://hplc.chem.shu.edu/HPLC/index.html

"High Performance Liquid Chromatography (HPLC) is one mode of chromatography, the most widely used analytical technique. Chromatographic processes can be defined as separation techniques involving mass-transfer between stationary and mobile phases.

HPLC utilizes a liquid mobile phase to separate the components of a mixture. These components (or analytes) are first dissolved in a solvent, and then forced to flow through a chromatographic column under a high pressure. In the column, the mixture is resolved into its components. The amount of resolution is important, and is dependent upon the extent of interaction between the solute components and the stationary phase. The stationary phase is defined as the immobile packing material in the column. The interaction of the solute with mobile and stationary phases can be manipulated through different choices of both solvents and stationary phases. As a result, HPLC acquires a high degree of versatility not found in other chromatographic systems and it has the ability to easily separate a wide variety of chemical mixtures"[1].......
First chapter of the book
1.http://hplc.chem.shu.edu/HPLC/index.html

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NMRShiftDB

NMRShiftDB - Analytical

Chemistry online Resources

Link - http://www.nmrshiftdb.org/

"NMRShiftDB is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The NMRShiftDB software is open source, the data is published under an open content license. Please consult the documentation for more detailed information"[1].
1.http://nmrshiftdb.ice.mpg.de/

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Element 118, Heaviest Ever, Reported for 1,000th of a Second

Element 118, Heaviest Ever, Reported for 1,000th of a Second

Hot News 

A team of Russian and American scientists said yesterday that it had created the heaviest element ever seen in a laboratory, a dab of matter that lasted for less than one-thousandth of a second but would add an entry at the farthest reaches of the periodic table and suggest that strange new elements may lie beyond.....

Read More Watch The Video

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Bio-Rad -FREE and fully functional software

Bio-Rad -FREE and fully functional software

Chemistry online Resources

Link - http://www.knowitall.com/academic/welcome.asp

'Bio-Rad offers either free single-user copies or site licenses for your entire department or school if you meet our eligibility requirements outlined in our Terms & Conditions of Use Agreement.

To download your free copy of the KnowItAll Informatics System, Academic Edition, you will need to make a selection above (in the download the software now section), fill out a registration form, and download the software (unless you have already done so). After that, an e-mail with product registration code(s) will be sent to you. You will then need to use this code to activate your software.

What applications and features are included in the KnowItAll® Academic Edition?
DrawIt™ for chemical structure drawing
• Draw 2D & 3D structures
• Automatically assign stereochemical designators for R/S centers and E/Z bonds
• Automatically assign stereochemical designators for R/S centers in Fischer projections of sugars
ReportIt™ to generate high-quality lab reports
• Import IR, NMR, MS, and Raman spectra, & chromatograms in common native file formats
• Create reports complete with structures, spectra, tables, & more
• Access lab glassware and engineering symbol clip art with the click of the mouse
AnalyzeIt™ IR & Raman to interpret spectra
• Interpret the bands in an experimental infrared or Raman spectrum
• Correlate the expected group frequencies from a structure with a spectrum
RefineIt™ IR & Raman and ProcessIt™ NMR
• Import and process spectra from various instrument sources.
Sadtler Spectroscopy Handbooks – Internet Edition
• Review spectroscopy handbooks, starting with the Sadtler Handbook of IR Spectroscopy
• Access key spectroscopic insights by functional group
SymApps™ for molecular symmetry analysis
• Calculate, display, & animate the symmetry for a molecule
• Create movies for three basic rotations
• Calculate point groups, bond lengths, angles, & dihedral angles for all atoms in the structure
General laboratory calculations
• Convert from mole to mass or mass to mole
• Calculate molecular weight from structure
• Access MS fragmentation & MS documentation tools Analytical Inorganic Organic Physical"[1].