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

Analytical Inorganic Organic Physical

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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

Analytical Inorganic Organic Physical

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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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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

Chemweb - General Chemistry

Chemweb - General Chemistry

Chemistry online Resources

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

"Welcome to the ChemWeb Chemistry Portal

Journal Abstracts from chemistry publishers such as Bentham, Elsevier, Springer and others covering over 500 journals can be searched and accessed for free. Search by title and issue or use Journal Search for full-text search of abstracts across all journals.

Find a conference, trade-show or on-line course on the Events page. Registered members can submit relevant events to the ChemWeb Event Calendar and reach ChemWeb's 250,000+ registered members and our 100,000+ monthly visitors each month. Adding an Event is easy and free. If you are not yet a member - join now - membership is free and takes just a minute to register.

ChemWeb.com provides access to the information chemists need to enhance their research, product development, self-development, education, and/or their businesses in Chemistry and related disciplines. Easy access to abstracts, papers, books, conferences, news, forums and the Alchemist newsletter makes ChemWeb.com useful to our members. If you are not a member - join now - membership is free and takes just a minute to register. Members have exclusive content access and can participate in the many ChemWeb community features"[1].

1.http://www.chemweb.com/

Analytical Inorganic Organic Physical