Chemistry

Levitt group publications Levitt group publications- A list of the various publications from the Levitt group. There are some that can be downloaded. From 1994 to 2004. Bruce King and Yue-Ling Wong's NMR Tutorials and Exercises Bruce King and Yue-Ling Wong's NMR Tutorials and Exercises- 2 really good simple tutorials on Proton and Carbon NMR. The Wired Chemist The Wired Chemist- Includes an introduction to chemistry, lecture notes and quizzes for students, data tables, and molecular images. With NMR tables and information for the beginn… Lecture Course: NMR Spectroscopy Lecture Course: NMR Spectroscopy- A very good and very useful course in the basic and advanced theory of NMR Spectroscopy. Covers 1D and 2D. Rheo-NMR Rheo-NMR- Provides a resource for all things to do with rheo-nmr, rheology and NMR. Fourier and the Frequency Domain Fourier and the Frequency Domain- A great discussion and tutorial of FFT and DSP. Principles of nuclear induction Principles of nuclear induction- Nobel lecture by Felix Bloch. FT NMR spectroscopy: Nobel Lecture FT NMR spectroscopy: Nobel Lecture- Insightful discussion of many aspects of FTNMR, multi-dimensional NMR and MRI by Nobel laureate R.R.Ernst. Applications for measuring scalar and residual dipolar couplings in proteins Applications for measuring scalar and residual dipolar couplings in proteins- By Perttu Permi. The entire paper and dissertation is available in pdf format. Distance geometry by T.Havel Distance geometry by T.Havel- Description of the distance geometry method used in bio-molecular structure determination. 2D NMR 2D NMR- Introduction to (high resolution) multidimensional solution NMR spectroscopy. Description of line-shapes, product operator formalism, phase-cycling, pulsed field gradients… Biomolecular structure determination by using solution NMR spectroscopy Biomolecular structure determination by using solution NMR spectroscopy- Bibliography of G.M.Clore: Reviews and original papers on protein structure determination by solution NMR … CIL Solvent Chart CIL Solvent Chart- The famous solvent chart from Cambridge Isotope Laboratories. Helium Dewar Level Chart Helium Dewar Level Chart- If one gets a Cryofab Dewar (Liquid Helium) without the handy dandy chart, here is the actual charts direct from Cryofab. NMR Nucs NMR Nucs- A downloadable, useful program for your PDA. It has extensive NMR information for each element. Amino Acids Amino Acids- Useful table with structures, and data of AA's. NMR Data, Known Compounds NMR Data, Known Compounds- NMR Data of known compounds from Widener University. All compounds ran on a Bruker QE-300 NMR. NMR chemical Shift Wizards NMR chemical Shift Wizards- This wizard is part of the spectroscopic tools collection which includes many NMR tools and one online book. Boron Chemical Shifts Boron Chemical Shifts- An extensive table of Boron chemical shifts with references. BioMagResBank NMR information BioMagResBank NMR information- Information about amino acid chemical shifts. (Look under reference information.) Solid-State NMR Spectroscopy Solid-State NMR Spectroscopy- SSNMR Spectroscopy from the Swiss Federal Institute for Technology (ETH) In Zurich Solid state NMR Service Solid state NMR Service- : Learning about Solid state NMR - Durham University NMR Group at Warwick University NMR Group at Warwick University- Solid state NMR research at Warwick, the research groups of Profs. Ray Dupree, Mark Smith and Steven Brown. Research topics include low gamma nucl… Solid State NMR Technology Solid State NMR Technology- SS theory, basics, applications and technology. With a search function and references. From Emory University. Magnetic Moments, Magnetization and Nuclear Shielding Magnetic Moments, Magnetization and Nuclear Shielding- Describes the efforts made in interpreting the high resolution Proton NMR studies in single crystalline solids. Simpler summ… Solid-State NMR at the University of Alberta Solid-State NMR at the University of Alberta- This site features Professor Rod Wasylishen's NMR research group, located in Edmonton, Alberta, Canada. The site has useful software … Quadrupole coupling in NMR Quadrupole coupling in NMR- Pascal Man presents the most comprehensive collections of information on quadrupolar nuclei available on the web. Literature review of solid-state NMR … Solid-State NMR at the University of Windsor Solid-State NMR at the University of Windsor- Solid-State NMR notes and the research group of Rob Schurko at the University of Windsor in Windsor, Ontario, Canada. Linux4Chemistry Linux4Chemistry- Linux software for chemistry: molecular modeling, visualization, graphics, quantum mechanics, dynamics, kinetics, simulations, NMR Structure elucidation. Relax wiki Relax wiki- The community-run support site for relax, a program for the study of molecular dynamics using experimental NMR data. VeSPA integrated NMR software suite VeSPA integrated NMR software suite- Home of VeSPA, an open source, integrated NMR pulse design, spectral simulation and spectral fitting package Mestrelab Research Mestrelab Research- Mestrelab develops Mnova (former MestReC); a NMR and Mass Spectroscopy (LC/GC/MS) processing and analysis software suite for chemists and educators iNMR iNMR- A complete set of instructions, manuals, tips and tricks about using the software called iNMR, which is available in two versions: for Mac OS X (10.4 or higher) and for Wind… Spartan - calculated and experimental NMR spectra Spartan - calculated and experimental NMR spectra- Wavefunction Spartan is a general purpose chemistry software tool that includes a feature to calculate NMR spectra. Software by Klaus Eichele Software by Klaus Eichele- Several useful and important packages for NMR, simulation, JCAMP data repair, GETUXNMR, SpecMake and SpecPlot. relax relax- A program for analyzing NMR data for the study of the dynamics of proteins and other macromolecules. NMR software NMR software- CALM is a DOS-based program for iterative analysis of high resolution NMR-spectra. And Coder 7 is a universal multi format NMR data converter. Handles both FIDs and … Quantitative NMR Quantitative NMR- A group offering a software package and method of analysis that puports to give quantitative and qualitative information . Methodology is called qNMR. SPSCAN SPSCAN- SPSCAN supports semi-automatic assignment of NMR spectra of biological macromolecules. The program is written in C++ for UNIX computers with X-Window interface. Dmfit and EditNMR Programs Dmfit and EditNMR Programs- The Dmfit programs enables fitting of solid state (and liquid) NMR spectra, including 1D and 2D datasets. Edit NMR program : file Viewer for NMR files. Chemical shift (J) to Dihedral angle converter Chemical shift (J) to Dihedral angle converter- This is a web-based program that converts the chemical shift from NMR spectra to the dihedral (torsional) angle to assist in molecu… Software packages developed at the CMRR Software packages developed at the CMRR- Stimulate - multifunctional image analysis tool, PhysioFix - adjust for respiration and cardio effects, PhysioFix for Matlab, Cluster_prob… NMR pipe NMR pipe- A very easy to use NMR data processing software package. GAMMA GAMMA- C++ library for simulation of Magnetic Resonance experiments. Advanced Chemistry Development Advanced Chemistry Development- Provides a wide set of desktop and on-line software for chemists and educators: NMR, IR, UV, MS, drawing and modeling, chromatography, naming, comp… Ad Bax Group and NIH Ad Bax Group and NIH- TALOS Program, NMRPipe, SSIA, and PALES software. Articles with contact information. Mathcad Mathcad- Documents for Teaching NMR Roland Stenutz's Homepage Roland Stenutz's Homepage- A few nice Karplus and Pachler calculators. Downloadable NMR Bibliography: Table of Contents NMR Bibliography: Table of Contents- A very extensive list of NMR references. Covers quite a few subjects such as multi nuclear, pulses, general, theory, CIDNIP, and individual nu… Books Books- By Dr. Stefan Berger. A great Multinuclear NMR specialist, and a good author.