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.

Analytical Inorganic Organic Physical

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Free online Chemistry Courses

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

Analytical Inorganic Organic Physical

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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/

Analytical Inorganic Organic Physical

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Free online Chemistry Courses

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

Analytical Inorganic Organic Physical
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Free online Chemistry Courses

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].

Stereochemical Glossary (PDF File!)

Stereochemical Glossary (PDF File!) 

Link - http://www.rsc.org/pdf/tct/stereochemgloss.pdf

Analytical Inorganic Organic Physical

CAS Standard Abbreviations and Acronyms - General 

Chemistry online Resources

Link - http://www.cas.org/products/print/ca/standabbrevacro.html

"In both printed CA Issues and Indexes and computer-readable services, certain abbreviations and acronyms are automatically generated for terms in the abstract text, the keyword phrases, and the text modifying phrases for index entries. Most of these abbreviations have been used prior to 1982. Users of computer-readable services need to know these standard abbreviations and acronyms in order to be able to use them in search profiles and identify them in text.

In this document, automatically generated abbreviations and acronyms in CAS publications and services are arranged in three lists. To guide users to abbreviations they need to include in their search profiles, Listing A is arranged in the alphabetical order of the full terms which are abbreviated. Do not use periods when searching CAS abbreviations or acronyms online. To provide explanation of abbreviations encountered in text, Listing B is arranged in the alphabetical order of abbreviations and acronyms"[1].

1.http://www.cas.org/products/print/ca/standabbrevacro.htmlAnalytical Inorganic Organic Physical

Quantum States of Atoms and Molecules - Digital Book

Quantum States of Atoms and Molecules

Chemistry online Resources

Link - Read the Book,  its Free 

"Quantum States of Atoms and Molecules is an introduction to quantum mechanics as it relates to spectroscopy, the electronic structure of atoms and molecules, and molecular properties. A digital, living textbook, it provides opportunities not found in conventional textbooks—opportunities that allow students to develop skills in information processing, critical thinking or analytical reasoning, and problem solving that are so important for success.

In contrast to many quantum chemistry books, the relevant properties of atoms and molecules become part of the discussion immediately, and concepts are introduced at a concrete level and then generalized, and put in mathematical form at a later stage in the presentation. The goal is to establish the fundamental principles of quantum chemistry and their consequences in a rigorous way while not delaying the discussion of molecular properties until the end. This approach is based on the experience that a concrete verbal description paves the way for a more fundamental, mathematical approach.

The design goals of Quantum States are:

* Make the concepts and methodologies of quantum chemistry accessible and meaningful to all students.
* Develop an understanding of atomic and molecular properties in terms of quantum chemistry.
* Establish the fundamental principles of quantum chemistry and their consequences in a rigorous way while not delaying a discussion of molecular properties until the end.
* Encourage the development of information processing, critical-thinking, and problem-solving skills.
* Set the challenge for each assignment at a level that encourages the growth of critical-thinking and problem-solving skills, yet that can be achieved reasonably, though not always easily, by a student learning team facilitated by a master learner, the instructor.

Quantum States is suitable for a one-semester undergraduate or graduate course and can be part of a two-semester sequence in physical chemistry. It was developed with partial support from the National Science Foundation through grant NSF DUE #0127291.

A set of corresponding questions for student assessment is also available in the QBank collection of the JCE Digital Library"[1].

1.http://www.jce.divched.org/JCEDLib/LivTexts/pChem/JCE2005p1880_2LTXT/index.html

Analytical Inorganic Organic Physical

chem1 virtual textbook

chem1 virtual textbook

Chemistry online Resources

Link - http://www.chem1.com/acad/webtext/virtualtextbook.html

"This project began in the late 1980's as a means to supplement (or in some cases to largely replace ) the conventional textbook treatments of various topics in courses in General Chemistry and Environmental Chemistry. The purpose was in most cases to provide alternatives to what seemed to be the rather shallow standardized treatments of certain topics presented in many commercial textbooks. These became the "assigned reading" for several of my courses. Eventually, and with the help of an extensive set of computer-based lessons, I was able to eliminate the need for an "assigned" textbook for my General Chemistry courses. I did recommend that the students have access to a textbook of some kind, but it could be almost anything they could borrow or buy second-hand or remaindered"[1].
1.http://www.chem1.com/acad/webtext/VT-about.html

Analytical Inorganic Organic Physical

Spectral Database for Organic Compounds

Spectral Database for Organic Compounds

Chemistry online Resources

Link - http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi?lang=eng

"Introduction to the Spectral Data Base (SDBS)

SDBS is an integrated spectral database system for organic compounds,which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.

Compounds: ca 33000 compounds
MS: ca 24000 spectra
1H NMR: ca 14700 spectra
13C NMR: ca 13000 spectra
FT-IR: ca 51100 spectra
Raman: ca 3500
ESR: ca 2500 "[1].
1.http://riodb01.ibase.aist.go.jp/sdbs/LINKS/Introduction_eng.html

Analytical Inorganic Organic Physical