2.8 Case Study Computational Chemistry Fundamental to several methods used in quantum chemistry is the need to and the Irepresent integrals that are computed using elements i , j , k , and l of a http://www-unix.mcs.anl.gov/dbpp/text/node22.html
Extractions: Next: 2.9 Summary Up: 2 Designing Parallel Algorithms Previous: 2.7 Case Study: Floorplan Optimization Our third case study, like the first, is from computational science. It is an example of an application that accesses a distributed data structure in an asynchronous fashion and that is amenable to a functional decomposition. Computational techniques are being used increasingly as an alternative to experiment in chemistry. In what is called ab initio quantum chemistry Plate 6 shows a molecular model for the active site region in the enzyme malate dehydrogenase, a key enzyme in the conversion of glucose to the high-energy molecule ATP. This image is taken from a simulation of the transfer of a hydride anion from the substrate, malate, to a cofactor, nicotinamide adenine diphosphate. The two isosurfaces colored blue and brown represent lower and higher electron densities, respectively, calculated by using a combined quantum and classical mechanics methodology. The green, red, blue, and white balls are carbon, oxygen, nitrogen, and hydrogen atoms, respectively. Fundamental to several methods used in quantum chemistry is the need to compute what is called the Fock matrix , a two-dimensional array representing the electronic structure of an atom or molecule. This matrix, which is represented here as
The Periodic Table Of The Elements to supplement a chemical view of the elements with a is not intended, therefore,as a resource for chemistry, physics, or IA Alkali Metals, Li 3, Na 11, K 19, Rb http://www.friesian.com/atoms.htm
Extractions: The Periodic Table of the Elements It is not difficult to find periodic tables of the chemical elements. What is provided here, however, is a table with information drawn from different sources that may not always be found together (though there is the massive Handbook of Chemistry and Physics , edited by Robert C. Weast and Melvin J. Astle, of which I have the 62nd edition, 1981-1982, CRC Press, Inc.). Thus, atomic isotopes, half-lives, and decay modes are largely taken from Subatomic Physics , by Hans Frauenfelder and Ernest M. Henley (Prentice-Hall, Inc. 1974). Cosmic abundance of elements is taken from the Realm of the Universe , by George O. Abell (Holt, Rinehart, and Winston, Inc. 1976Abell's catalogue of galaxy clusters has now enshrined his name to the far reaches of the universe). Some minerological information comes from An Introduction to Minerology for Geologists Manual of Minerology Many of the sources above may seem somewhat out of date, but they reflect the period when I was studying these matters, and when I was especially intrigued to supplement a chemical view of the elements with a picture of the variety of nuclear isotopes. This table is not intended, therefore, as a resource for chemistry, physics, or minerology students. It is a resource for philosophy of science, illustrating basic ideas and information, where the most up to date data and the provision of all chemically useful information is not necessary: Data for reflection and theory, not for application and experiment. Some commentary, color coding, and further footnotes will be added.
Chemistry Remember, the listings for the elements oxygen (O), hydrogen (H), silicon (Si), calcium(Ca), iron (Fe), aluminum 4, 19 K, 20 Ca, 21 Sc, 22 Ti, 23 V, 24 Cr, 25 Mn, 26 http://web.wt.net/~daba/Mineral/chemical.html
Extractions: Minerals by Chemical Compostion The Chemical Periodic Table in the Mineralogy Database is moving to a new, permanent domain. Please make sure to bookmark the new location at http://webmineral.com/chemical.shtml To display the list of minerals by element (formulas courtesy of Athena Mineralogy ), select the desired element from the periodic chart. Remember, the listings for the elements oxygen (O), hydrogen (H), silicon (Si), calcium (Ca), iron (Fe), aluminum (Al), sodium (Na), magnesium (Mg), and sulphur (S) have the largest representation in the mineral kingdom. Group Period
Dr. Matrix Chemistry - Latest Update 29/09/99 dmbl.gif 5.0 K dmbr.gif - 3.8 K. Physical Constants; Metric Conversion Factors;MIME Types for chemistry; Periodic Table of the elements; Periodic Table 2 http://scientium.com/drmatrix/sciences/chem.htm
Chemistry Definitions A chemistry Dictionary. Actinides elements 90 to 103 (after actinium) Acyl Group Compoundderived from a formula, ORCH Alkali Metals Metals of Group IA (Na, K, Rb http://www.netaccess.on.ca/~dbc/cic_hamilton/dictionary/a.html
Review.html New Aspects in the chemistry of Lowcoordinate Compounds of Group 14 elements,N. Tokitoh, Y. Matsuhashi, K. Shibata, T. Matsumoto, H. Suzuki, M. Saito, K http://boc.kuicr.kyoto-u.ac.jp/~tokitoh/review.html
Extractions: List of Publications (Reviews etc.) Norihiro Tokitoh Institute for Chemical Research Kyoto University Accounts and Reviews Synthesis of Functionalized Episulfides, W. Ando and N. Tokitoh, Strain and Its Implications in Organic Chemistry, A. de Meijere and S. Blechert (eds.), Kluwer Academic Publishers, 59-75 (1989). New Progress in the Chemistry of Multiple bond Compounds of Heavier Typical Elements: In Pursuit of the "Heavy Ketones", N. Tokitoh, Journal of Synthetic Organic Chemistry Japan (Yuki Gosei Kagaku Kyokai Shi), 52, 136-148 (1994). New Aspects in the Chemistry of Low-coordinate Compounds of Group 14 Elements, N. Tokitoh, Y. Matsuhashi, K. Shibata, T. Matsumoto, H. Suzuki, M. Saito, K. Manmaru, and R. Okazaki, Main@ Group Metal Chemistry, 17, 55-65 (1994). Heavy Ketones": The Heavier Element Homologues of Ketones, N. Tokitoh and R. Okazaki, Main Group Chemistry News, 3, 4-11 (1995). The Chemistry of "Heavy Carbenes" and "Heavy Ketones", N. Tokitoh, Chemistry and Chemical Industry, 49, 216-218 (1996). The Chemistry of Silaaromatic Compounds, N. Tokitoh, Keiso Kagaku Kyokai Shi, 8, 3-15 (1997).
Extractions: Chemistry@University of Oxford myDegree Search Admissions Undergraduate Course Postgraduate Information Research Laboratories ... Academic Research Staff INORGANIC CHEMISTRY LECTURE COURSE GUIDE FIRST YEAR COURSE The first year course covers the following material. Atomic structure Revision and extension of elementary ideas of valence and molecular structure, e.g. Lewis structures and the VSEPR model, definition and uses of bond enthalpies. The hydrogen atom: atomic energy levels and atomic orbitals. Many electron atoms, penetration and screening, atomic spin and the Pauli exclusion principle. The building up principle and the structure of the Periodic Table. Introduction to periodic trends in atomic properties: ionisation energy, electron affinity, atomic and ionic radius. Molecular Orbital Theory The MO description of bonding in H . MO's for homonuclear diatomics (including simple treatment of s-p mixing) Trends in bond strength; paramagnetism and properties of O
MRD - Analytical Chemistry Laboratories K, 12.0, Zn, 0.32. Determination of As, U and other elements in difficult matricessuch The Analytical chemistry Section maintains standing offer agreements with http://www.nrcan.gc.ca/gsc/mrd/labs/chem_e.html
Extractions: Research and Development Services Major elements (X-ray fluorescence) ( METHOD XRF-100 Analysis is completed by fused disk wavelength dispersive X-ray Fluorescence. This method is not suitable for samples containing greater than 5% S or significant amounts of barite, percent levels of copper or lead or for samples for which insufficient quantities are available for producing a fused disk major element determinations for these samples are completed using the ICPES-100 package. When ICP-ES and ICP-MS are also requested, Ba, Nb, Rb, Sr and Zr values may be obtained using these techniques. Analyte Calibration range (%) Limit of determination (%) SiO TiO Al O Cr O Fe O 3 total MnO MgO CaO Na O K O P O Ba Nb Rb Sr Zr Sample required : 1.0 g. If XRF-100 and L.O.I. are requested together ( METHOD XRF-110 ), an additional 0.5 g sample is required. Major elements (ICP-ES) ( METHOD ICPES-100 Analysis is completed by fusing the sample with a mixed lithium metaborate - lithium tetraborate flux, dissolution of the fusion melt followed by analysis by ICP emission spectrometry. This method is suitable for samples containing greater than 5% S or significant amounts of barite, percent levels of copper or lead or samples for which sufficient quantities are not available for the determination of major elements by XRF. If required, the determination of Rb, Sr, Nb and Zr by ICP spectrometry is available on request. This method can also be applied to samples smaller than 0.5 g when necessary.
Scientific Papers On Electronchemistry and its application to Problems of The Stationary H and Klines of Calcium in On the Temperature Ionisation of elements of the Higher http://www-library.saha.ernet.in/saha3.html
Laboratory Of Analytical Chemistry - Biennal Report 1995-96 11.Speciation of trace elements in clinical samples (R tomography (PET) (P. Goethalsand K. Strijckmans) 12.1 of the Laboratory of Analytical chemistry working at http://allserv.rug.ac.be/~jddonder/AnalChem/Progres9596/r96inht.htm
Extractions: 1.Preface 2. Development of new and optimised techniques in reactor neutron activation analysis (F. De Corte 2.1.Introduction 2.2.Reaction interferences and activation-decay mechanisms in NAA 2.3.Nuclear data library 2.3.1.The case Cd(n,gamma) Cd 2.3.2.The case Yb(n,gamma) Yb 2.3.3.The Zr k -factors 2.3.4.An updated compilation of sigma -values 2.3.5.Updating of nuclear decay data for true-coincidence correction 2.4.The composition of Al-Au alloys 2.5.The preparation and characterization of a synthetic multi-element standard for QC/QA of k -NAA 2.6.Applications 2.6.1.Characterisation of new U-doped glasses for fission-track dating 2.6.2.The determination of U, Th and K in materials for TL-dating 2.7.The Second International k Users Workshop, 1996 3.Charged particle activation (K. Strijckmans) 3.1.Introduction 3.2.Charged particle activation analysis (CPAA) 3.3.Cyclic charged particle activation analysis 3.4.Thin layer activation 3.5.Production of Bi, a calibration source for positron annihilation lifetime spectrometers 4.Nuclear microanalysis of biological materials (W. Maenhaut
CHEMISTRY I 12 The Nernst equation (E o , E and K). INORGANIC chemistry (3 lectures) Extractive metallurgy;chemical processes involving important elements (parts of http://www.admissions.med.ubc.ca/chem.htm
Extractions: SAMPLE CHEMISTRY Principles of Chemistry 11 Topics 2 weeks Chemical Kinetics: Reaction rates, rate laws, activation energy, reaction mechanisms, catalysis. Radioactive decay, half-lives, radiocarbon dating 4 weeks Chemical Equilibrium: Reaction quotient, equilibrium constant, Le Chatelier's principle; gaseous equilibrium. Acids and bases; ionic equilibrium, buffers, titrations 2 weeks Thermochemistry and Themodynamics: First and second laws, entropy, free energy, relation to equilibrium constants and their dependence, electrochemical cells, Nernst equation. 3 weeks Organic Chemistry: Hydrocarbons, IUPAC nomenclature, isomerism, functional groups, some organic reactions, aromatic chemistry, elementary biochemistry. 1 weeks Coordination Chemistry: ligands, coordination numbers, nomenclature, isomerism (structural,geometrical,optical). Laboratory The laboratory illustrates lecture material and fundamental experimental techniques Experiments: Isolation of Caffeine; Purification of Caffeine; Heat of Reaction: Thermochemistry; Computer Tutorial on Rates and Equilibrium; Rates of Chemical Reactions; Chemical Equilibrium; Computer Tutorial on pH Experiment; Measurement of pH and Buffer Capacity; Preparation of Aspirin; Purity and Yield of Aspirin
JCU - Subject - CH2022 - Chemistry Of The Elements THE 2003 HANDBOOK IS NOW AVAILABLE). CH2022 chemistry of the elements.Home Page CH2022 CH202203. chemistry of the elements. Townsville. http://www.jcu.edu.au/courses/handbooks/2001/subjects/ch2022.html
Extractions: Note: The links above will take you away from the official University Handbook. Responsibilty for the accuracy and completeness of information on the subject home pages lies with the pages' School or Faculty maintainer. Some material on subject home pages may be password protected. If the link above is broken or incorrect, please inform Webmanager Chemistry of the Elements Townsville Prerequisites: 32 lectures, 4 tutorials, 36 hours practicals. Second semester. Staff: Dr P Junk, Professor R Keene. Learning Objectives: to provide knowledge of a wide range of fundamental inorganic chemistry; to prepare students for entry into more advanced chemistry subjects at level 3; to provide knowledge of the application of inorganic chemistry in a number of chemical processes and techniques; to provide a background of inorganic chemistry which is appropriate for students whose majors will be in other science and/or engineering disciplines;
Winners Of The Nobel Prize In Chemistry A comprehensive list of Nobel Prize Laureates in chemistry, at the Nobel Prize Internet Archive.Category Science chemistry Nobel Prize in chemistry first discovery of an iontransporting enzyme, Na + , K + -ATPase GLENN THEODORE SEABORGfor their discoveries in the chemistry of the transuranium elements. http://almaz.com/nobel/chemistry/chemistry.html
Extractions: The prize is being awarded for the development of methods for identification and structure analyses of biological macromolecules with one half jointly to: J OHN B F ... ENN , and K OICHI T ANAKA , for their development of soft desorption ionisation methods for mass spectrometric analyses of biological macromolecules and the other half to: K URT W for his development of nuclear magnetic resonance spectroscopy for determining the three-dimensional structure of biological macromolecules in solution. The prize is being awarded with one half jointly to: W ILLIAM S K ... NOWLES , and R YOJI N OYORI , for their work on chirally catalysed hydrogenation reactions and the other half to: K B ARRY S ... HARPLESS for his work on chirally catalysed oxidation reactions. The prize is being awarded with one half jointly to: A LAN J H ... IARMID , and H IDEKI S HIRAKAWA for the discovery and development of conductive polymers. A HMED Z EWAIL for his studies of the transition states of chemical reactions using femtosecond spectroscopy.
The Purpose Contains xray spectra of elements on the periodic table. The spectra are drawn with a java applet.Category Science chemistry Education Multimedia In chemistry, values of n start at 1 and increase in successive with an energy higherthan the binding energy of the K electrons of these elements. http://ie.lbl.gov/xray/
Extractions: This website is best viewed with a IE 4.0 or a or above. Click here or on the periodic table at the bottom of this document to view the x-ray spectra of 63 elements. Viewing the Periodic Table of the Elements with X-rays Gregory Rech , Jeffrey Lee , Eric B. Norman , Ruth-Mary Larimer , and Laura Guthrie Lawrence Berkeley National Laboratory, Berkeley, CA University of California, Berkeley, CA University of California, Irvine, CA Acalanes High School, Lafayette, CA History , and in 1901 he was awarded the very first Nobel Prize in physics for this discovery . Soon after, Charles Glover Barkla discovered that each element has its own characteristic x-ray spectrum . He was awarded a Nobel Prize in physics for this discovery in 1917 . Sir William Henry Bragg and his son, Sir William Lawrence Bragg, were then able to experimentally prove that the discrete electron energy levels of an atom, an idea proposed by Niels Bohr, actually existed . They were awarded the Nobel Prize in physics for this in 1915 . After this groundwork in x-ray spectroscopy was established, Henry Moseley showed that each elements characteristic x-ray energy spectrum followed the predictions of the Bohr atomic model . He developed a graphical method to display this data, now known as the Moseley diagram, which is displayed in Figure 1. This diagram was the first way that scientists were able to definitively establish the atomic numbers of the elements
Pre-Lab Exercises For Chemistry 102, Fall 2000 Determination of K f of complex ions. Lab Manual 3537. Oct 30. Electrochemistry.Lab Manual 39-42. Nov 6. Some chemistry of the Main Group (p-block) elements-Week1. http://itw1.sewanee.edu/chemCGI/chem101/default102f01.htm
Extractions: Pre-Lab Exercises for Chemistry 102, Fall 2001 Lab Dates Experiment Reading Preparation Sep 4 Law of Multiple Proportions Lab Manual 1-3 Sep 11 Molecular Models Lab Manual 13 Sep 18 Heat of Neutralization Lab Manual 15-18 Sep 25 The Rate of a Chemical Reaction Lab Manual 23-27 Oct 2 Le Chatelier's Principle Lab Manual 29-31 Oct 9 K a 's of Weak Acids Lab Manual 33-34 Oct 16 Determination of K f of complex ions Lab Manual 35-37 Oct 30 Electrochemistry Lab Manual 39-42 Nov 6 Some Chemistry of the Main Group (p-block) Elements-Week 1 Lab Manual 43-50 Nov 13 Some Chemistry of the Main Group (p-block) Elements-Week 2 Lab Manual 46-51 Nov 20 Some Chemistry of the Transition Elements (d-block) Redox Titrations Lab Manual 53-56 Nov 27 d-Block Elements Week 2 Lab Manual 57-63 Dec 4 Isolation of DNA Lab Manual 67-69
Extractions: Professor of Chemistry / McMaster University / Hamilton, Ontario Preface The Nature of the Problem The New Physics The Hydrogen Atom ... Many-Electron Atoms Electronic Basis for the Properties of the Elements Introduction Horizontal Variations Vertical Relationships Some Chemical Implications Problems The Chemical Bond Ionic and Covalent Binding Molecular Orbitals ... Table of Contour Values Some Chemical Implications A detailed study of the chemical implications of the orbital theory of electronic structure must await our discussion of the chemical bond. However, we can at this point correlate the gross chemical behaviour of the elements with the general results of the orbital theory. The ability of the elements to act as oxidizing agents should parallel directly the variations in the effective nuclear charge. Thus the oxidizing ability should increase across a given row (from group I to group VII) and decrease down a given family. These trends are, of course, just the opposite of those noted for the reducing ability. We can also relate the chemical terms "reducing ability" and "oxidizing ability" to the experimentally determined energy quantities, "ionization potential" and "electron affinity." The reducing ability should vary inversely with the ionization potential, and the oxidizing ability should vary directly with the electron affinity. The elements in groups VI and VII should exhibit a strong tendency for accepting electrons in chemical reactions to form negatively charged ions. Francium, which possesses a single outer electron in the 7
Nobel Prizes In Chemistry A listing of Nobel Prize winners in chemistry from 1901 to 1999.Category Science chemistry History in the chemistry of transuranium elements 1952 Archer their work in atmospheric chemistry,particularly concerning transporting enzyme, Na + , K + ATPase 1998 http://userpage.chemie.fu-berlin.de/diverse/bib/nobel_chemie_e.html
Extractions: Jacobus Henricus van 't Hoff (Netherlands, 1852-08-30 - 1911-03-01) Discovery of the laws of chemical dynamics and of the osmotic pressure in solutions Emil H. Fischer (Germany, 1852-10-09 - 1919-07-15) Synthetic studies in the area of sugar and purine groups Svante A. Arrhenius (Sweden, 1859-02-19 - 1927-10-02) Theory of electrolytic dissociation Sir William Ramsay (United Kingdom, 1852-10-02 - 1916-07-23) Discovery of the indifferent gaseous elements in air (noble gases) Adolf von Baeyer (Germany, 1835-10-31 - 1917-08-20) Organic dyes and hydroaromatic compounds Henri Moissan (France, 1852-09-28 - 1907-02-20) Investigation and isolation of the element fluorine Eduard Buchner (Germany, 1860-05-20 - 1917-08-13) Biochemical studies, discovery of fermentation without cells Sir Ernest Rutherford (United Kingdom, 1871-08-30 - 1937-10-19) Decay of the elements, chemistry of radioactive substances Wilhelm Ostwald (Germany, 1853-09-02 - 1932-04-04) Catalysis, chemical equilibria and reaction rates
Periodic Table Of The Elements Very Comprehensive data Interactive periodic table. Includes additional information on ionisation Category Science chemistry Periodic Table D E F G H I J K L M of temperature changes or the exchange of elementscan be The calculating module from the programme chemistry Assistant has http://www.ktf-split.hr/periodni/en/
Extractions: Relative atomic mass is shown with five significant figures. For the precise value of the atomic mass you must click on an element symbol in periodic table. For elements have no stable nuclides, the value enclosed in brackets indicates the mass number of the longest-lived isotope of the element. However three such elements ( Th Pa and U ) do have a characteristic terrestrial isotopic composition, and for these an atomic weight is tabulated. ( Atomic Weights of the Elements 1999 , Pure Appl. Chem., Vol. , No. 4 (2001) 667-683) CONTENT: Glossary of chemical terms Glossary of chemical terms contain a brief definitions of selected terms of importance in chemistry and related fields of science. Individual chemical compounds are not included. It is composed of two parts: A B ... Z Periodic Table of the Elements Periodic table of the elements contains the basic data about the elements in five languages: The further information of each element can be found by PSE.Menu is a small remote control for Periodic table of the elements. It opens in a separate window and the selected page is loaded in a parent window.
ENC: This Week: Classroom Calendar: Chemistry Everywhere equations, Chemical properties, chemistry, Combustion, Concentration Crystals, Drugs,Electrons, elements, Endothermic, Equilibrium to do inquiry (K4) Content http://www.enc.org/thisweek/calendar/unit/0,1819,29,00.shtm
Extractions: Skip Navigation You Are Here ENC Home This Week Classroom Calendar Advanced ... Ask ENC Explore online lesson plans, student activities, and teacher learning tools. Find detailed information about thousands of materials for K-12 math and science. Read articles about inquiry, equity, and other key topics for educators and parents. Create your learning plan, read the standards, and find tips for getting grants. October 21 Chemistry out of this world and in this world! The top picture shows insulin crystals grown in experiments done on the space shuttle. The crystals are larger and more ordered than insulin crystals grown on Earth. Their large size makes it easier for researchers to learn about insulin. After studying the "space" crystals, researchers at the Hauptman-Woodward Medical Research Institute in Buffalo, New York, were able to make diagrams of the insulin molecules, shown in the bottom picture. Their work will help lead to better medicines for people who have diabetes. This is National Chemistry Week. Sponsored by the American Chemical Society (ACS), National Chemistry Week is designated as a time to remember and honor the people who have advanced our understanding of chemistry and to recognize the products in our lives that have resulted from their work. Whether it's the gasoline we use in our cars, the fabric of our clothing, or the fertilizer used to grow our foods, chemistry is an integral part of almost everything we have or do.
ENC: Web Links: Science Topics: Chemistry Brief audio descriptions of elements and examples WWW) site offers a listing ofchemistry experiments that 23 West Virginia K12 RuralNet Project Date 1998 http://www.enc.org/weblinks/science/0,1578,1-Chemistry,00.shtm
Extractions: Skip Navigation You Are Here ENC Home Web Links Science Topics Advanced ... Frequently Asked Questions Find detailed information about thousands of materials for K-12 math and science. Read articles about inquiry, equity, and other key topics for educators and parents. Create your learning plan, read the standards, and find tips for getting grants. Lists of web sites categorized by subject areas within science. Educators and students