Theoretical and Physical Chemistry

PHYSICAL CHEMISTRY SITES

European Physical Society - http://www.eps.org/ Online version, prizes, and publication links.

Table of the Nuclides - http://atom.kaeri.re.kr/ Map of all known nuclides. Horizontal rows representing one element; with colored dots indicating the known isotopes of that element. A vertical column represents the nuclides with same neutron numbers.

Water Structure and Behavior - http://www.lsbu.ac.uk/water/ A scientific site concerned with the structure, behavior and properties of water and hydration.

Nuclear Data Dissemination Home Page - http://ie.lbl.gov/toi.htm Wide variety of information relating to nuclear structure and decay.

Gas Research Institute - http://www.me.berkeley.edu/gri_mech/index.html University of California at Berkeley, Stanford University, The University of Texas at Austin, and SRI International provides reaction mechanism and thermochemical data of selected small molecules (e.g. 1-3 heavy atoms) and radicals, e.g. CN(g). Also input files for the Sandia National Laboratory Chemkin-II programs.

Mathcad Documents for Physical Chemistry - http://bluehawk.monmouth.edu/~tzielins/mathcad/ Links to Mathcad files, Adobe Acrobat files, and pointers to other sources of Mathcad documents on many topical areas within Physical Chemistry.

Shuffled Cards, Messy Desks, and Disorderly Dorm Rooms - http://jchemed.chem.wisc.edu/Journal/Issues/1999/Oct/abs1385.html Critical review of popular use of the concept of entropy, in the Journal of Chemical Education.

IUPAC Subcommittee on Solubility and Equilibrium Data (SSED) - http://www.unileoben.ac.at/~IUPAC/welcome.html Authoritative texts on various aspects of solubilities, such as "Chemicals in the Atmosphere".

International Symposium on Solubility Phenomena - http://ana00.sc.niigata-u.ac.jp/issp/index.htm Eighth International Symposium on Solubility Phenomena.

Science on High-Energy Lasers - http://www.llnl.gov/science_on_lasers/ An overview of science performed with high energy lasers, including five scientific areas (astrophysics and space physics, hydrodynamics, material properties, plasma physics, radiation sources, and radiative properties).

An Introduction to Quantum Mechanics - http://www.chemistry.ohio-state.edu/betha/qm/ Answers the questions, 1. What is a Wave Function? and 2. What is an Orbital?

Mathtrek Systems - EQS4WIN - http://www.mathtrek.com/ PC-Windows software to assist in the calculation of equilibrium concentrations for five compounds and two elements (demonstration version.) Both Contains the JANAF thermochemical database. Also links to related tutorials.

Physical Chemistry 1, Lund University - http://www.fkem1.lu.se/ Description of research at the division of Physical Chemistry 1. Areas of research include surface and colloid science.

The Spherical Harmonics Gallery Page - http://web.uniovi.es/qcg/harmonics/harmonics.html Graphical presentation of spherical harmonics. (A spherical harmonic is a single-valued, continuous, bounded, complex function that play an important role in quantum mechanics as the eigenfunctions of certain angular momentum operators.)

Dr. Aiko Huckauf's Homepage - http://www.chem.ualberta.ca/~jaeger/group/aiko/ah_home.htm Homepage of Dr. Aiko Huckauf - Postdoctoral Fellow in Prof. Dr. Wolfgang Jäger's Laboratory for the study of intermolecular interactions.

The Centre for Interdisciplinary Studies in Chemical Physics - http://www.uwo.ca/ccp Interests can be broadly classified into five general areas: energy deposition, surface science, biological applications, properties of condensed matter and properties of isolated atoms and molecules.

A list at Ohio Supercomputer Centre - http://ccl.osc.edu/ccl/chemurls.html Links to pages which may be of interest to computational chemists.

Physics/Chemistry Arena - http://www.physicsarena.com/physicsarena/homepage.htm This Arena is aimed at providing those of you in the academic and professional communities a 'one-stop shop' for all your Physics & Chemistry needs. Whether you are an researcher, professional, or student, we are sure there will be something of interest for you.

Lanthanide Luminescence - http://lanthanides.tripod.com Research on lanthanide luminescence, chemiluminescence and coordination chemistry.

Center for Nonlinear Science at Portland State University - http://sflow.chem.pdx.edu Portland, Oregon. Research interests include chemical dynamics, chemical instabilities, chemical chaos, biological and biophysical chemistry, and some environmental chemistry.

Rate Increase in Chemical Reaction and its Variance under Turbulent Equilibrium - http://www.ca-homes.com/science/tsuge-7.htm By Shunichi Tsuge. An abstract of the paper. Full paper available for download.

Fullerenes by A.Talyzin - http://www.geocities.com/kuku05/ Fullerenes in solution. High Pressure states of C60. C60 solubility information in organic solvents.

Particle & Particle Systems Characterization Book - http://www.wiley-vch.de/vch/journals/2056/2056_info.html Measurement and Description of Particle Properties and Behavior in Powders and Other Disperse Systems.

High Temperature Aqueous Chemistry - http://solvation.chem.ornl.gov Theory and molecular simulation of aqueous electrolytes systems at extreme conditions of chemical, geochemical, and environmental interest.

Workshop in Relativistic Quantum Mechanics - http://www.pnl.gov/quantum/index.html Workshop consisting of 16 lectures over a period of 5 days. Also 16 tutorials for discussion and problem solving. Lecture notes available for download.

Ab initio Investigation of Water Clusters - http://chem.unipune.ernet.in/anant/ A site related to the ab initio investigations of water clusters (H2O)n, n=2-20, to study Structure and Stability. The research publication abstract and structures of lowest energy conformers are also available.

Tensiometer Description and Theory - http://www.kibron.com/Science Description of tensiometers and introductory theory of surface tension.

PHYSICAL CHEMISTRY DATABASES

NIST Physical Reference Data - http://physics.nist.gov/PhysRefData/contents.html Database holding information on fundamental physical constants, atomic spectra, molecular spectroscopic data, ionization data, X-Ray and Gamma-Ray data, radiation dosimetry data, nuclear physics data, and condensed matter physics data.

Fundamental Physical Constants from NIST - http://physics.nist.gov/cuu/Constants/ The values of the fundamental physical constants provided at this site are recommended for international use by CODATA and are the latest available.

National Institute of Standards and Technology WebBook - http://webbook.nist.gov/ Thermochemical data for over 6000 organic and small inorganic compounds. Reaction thermochemistry data for over 9000 reactions. IR spectra for over 8700 compounds. Mass spectra for over 12,000 compounds. UV/Vis spectra for over 400 compounds. Electronic and vibrational spectra for over 4000 compounds. Constants of diatomic molecules (spectroscopic data) for over 600 compounds. Ion energetics data for over 16,000 compounds. Thermophysical property data for 33 fluids.

EMSL Gaussian Basis Sets - http://www.emsl.pnl.gov/forms/basisform.html Extensible Computational Chemistry Environment Basis Set Database, Version 8/01/01, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory.

Quantum Chemistry Literature DataBase - http://qcldb2.ims.ac.jp/ A literature database on ab initio MO calculations published in major journals of Chemistry, Physics and Computer Science since 1978.

JPL Molecular Spectroscopy - http://spec.jpl.nasa.gov/ Database which has an extensive library including programs for fitting spectra and spectral line files for a large number of molecules. Use requires knowledge of spectroscopy and quantum mechanics.

The Radiation Chemistry Data Center of the Notre Dame Radiation Laboratory - http://allen.rad.nd.edu/ Chemical property data (such as reaction rate constants, and redox potentials,) historic bibliographic information from the RCDC bibliographic database, and recent papers in radiation chemistry and photochemistry. Also includes an on-line continuation of the Biweekly List of Papers in Radiation Chemistry and Photochemistry.

Naval Research Laboratory Electronic Structure Calculations Database - http://cst-www.nrl.navy.mil/database.html Band structure, total energy, density of states, and derived quantities for most Periodic elements, hydrides, carbides, nitrides, and oxides.

Quest Consultants - http://www.questconsult.com/~jrm/thermot.html Source of thermodynamic data useful in handling phase transitions. The data are given as a function of temperature and pressure for single components and mixtures. Also links to Bubble Points, Dew Points, and Enthalpy-Pressure Diagram Pages.

Dielectric Constant Reference Guide - http://www.asiinstr.com/technical/Dielectric%20Constants.htm Single page of several hundred chemicals, sorted by name, with associated dielectric constant.

Pseudopotentials - http://www.theochem.uni-stuttgart.de/pseudopotentiale/ Energy-consistent pseudopotentials of the Stuttgart/Bonn group (semi-local pseudopotentials adjusted to reproduce atomic valence-energy spectra) for every element in the periodical table. Provided by the University of Stuffgart.

EMSL Computational Results DataBase - http://www.emsl.pnl.gov/proj/crdb/ A collection of information obtained from ab initio electronic structure calculations, as well as related experimental data and literature citations. Java database interface.

GRI-Mech - http://www.me.berkeley.edu/gri_mech/data/rxns_static.html site at Berkeley also has selected kinetic rate constants and parameters for reactions involving the species included in their database.

Materials Thermochemistry (Middlesex, UK) - http://www.npl.co.uk/npl/cmmt/mtdata/ Provides thermodynamic databases, data assessment, and consulting services to companies working with a variety of commercial and industrial materials. Information on training courses, models, downloads, example applications, and leasing databases.

University of Alberta - http://www.chem.ualberta.ca/courses/plambeck/p101.new/p0040x.htm Tables of chemical data for Fundamental Physical Constants, Relative Atomic Masses of the Chemical Elements, Molar Thermodynamic Properties of Pure Substances, Molar Thermodynamic Properties of Aqueous Solutes, Ionization Constants of Aqueous Monoprotic Acids, Ionization Constants of Aqueous Polyprotic Acids, Solubility Products of Slightly Soluble Salts, Stability Constants of Aqueous Complex Ions, and Aqueous Standard Reduction Potentials.

Surface Tension Data - http://www.surface-tension.de Surface tension values of some common test liquids for surface energy analysis.

Bulk Density Chart - http://www.asiinstr.com/technical/Material_Bulk_Density_Chart_A.htm Densities in standard and metric form, grouped by first letter of the product.

The NCI database - ftp://helix.nih.gov/ncidata

PHYSICAL CHEM RESEARCH GROUPS

Moerner Group - http://www.stanford.edu/group/moerner/ Single-molecule spectroscopy and microscopy. Single-molecule biophysics and nanophotonics.

Turro Group - http://turmac13.chem.columbia.edu/ Photochemistry. Reactive intermediates.

Professor Richard Saykally - http://www.cchem.berkeley.edu/~rjsgrp/ Active projects include nonlinear chemical imaging nanomicroscopy of nanostructured materials, polymers, and biological systems, terahertz laser spectroscopy of water clusters, infrared cavity ringdown spectroscopy of ions and clusters, synchrotron X-ray spectroscopy of liquid surfaces, chemistry at liquid surfaces, and single photon counting IR emission spectroscopy of PAHs.

York Centre for Laser Spectroscopy - http://www.york.ac.uk/res/ycls/ Study of Van der Waals and other weakly bonded aromatic complexes.

Davidovits Labs - http://chemserv.bc.edu/Department/Faculty/davidovits/home.htm Chemical reactions of gas molecules at the gas-liquid interface.

Barrett Group - http://www.barrettresearch.ca/OMCmain.htm Photochemistry. Self-assembly.

Campbell Group - http://www.cpac.washington.edu/~campbell/index.html Physical chemistry of solid Surfaces: chemisorption, catalysis, and surface analysis.

Xia Group - http://faculty.washington.edu/~yxia/ Materials and surface chemistry.

Zumbusch Group - http://sms.cup.uni-muenchen.de/index.php Single molecule spectroscopy and microscopy. Development of Coherent Anti-Stokes Raman Scattering (CARS) microscopy.

Lyon Group - http://web.chemistry.gatech.edu/~lyon// Hydrogel and nanoparticulate materials chemistry.

Axner Group - http://www.phys.umu.se/laser/ Laser-based research on trace-element detection, microsurgery and cooling and trapping.

Richtering group - http://www.uni-kiel.de/phc/ags/richtering/ Applied physical chemistry of polymers and colloids, including polymer solutions, polysaccharides, gels, latices, surfactants, and liposomes.

Femtolab - http://www.femtolab.au.dk/index.php?menu=0 Study the interaction of short light pulses with matter.

Molecular Device Design Group - http://www.soton.ac.uk/~moldev/ Molecular electronics and molecular recognition.

Prof. Dr. Jäger's Group Homepage - http://www.chem.ualberta.ca/~jaeger Prof. Dr. Wolfgang Jäger's Laboratory for the Study of Intermolecular Interactions.

Steer Group - http://duke.usask.ca/~eky341/index.html Spectroscopy, photophysics and photochemistry.

Chen Group - http://www.chen.ethz.ch/indexswf.html Electrospray ionization Tandem mass spectrometry, spectroscopy and dynamics, computational chemistry.

Emmanuel Soignard - http://www.ri.ac.uk/~esoignar/ High pressure and temperature chemistry. Diamond anvil cells. Raman spectroscopy. X-ray diffraction. Laser heating systems.

Blank Group - http://www.chem.umn.edu/groups/blank/default.html Uses novel two-dimensional ultrafast laser spectroscopy techniques to study chemical dynamics of liquids and electronic properties of new materials.

All Thermodynamics - http://hyperphysics.phy-astr.gsu.edu/hbase/heacon.html#heacon from HyperPhysics portal. This is rather a comprehensive online physics handbook containing "Thermodynamics" chapter. Site has a handle navigation, good illustrations, and very detail content.

The Second Law of Thermodynamics - http://www.secondlaw.com A qualitative introduction to the second law and entropy written for beginners in chemistry but useful for physics students too. Explains relationship with Murphy's Law.

Properties of Heat and Matter - http://www.mip.berkeley.edu/physics/bookcdx.html Online book on Thermodynamics at UC Berkeley.

Thermodynamics Research Laboratory - http://tigger.uic.edu/~mansoori/Thermodynamic.Data.and.Property_html Classical, Quantum, Nanoscale & Statistical Thermodynamics & Mechanics data and property calculation Sites.

A Concise History of Thermodynamics - http://www.thermohistory.com/ An overview of the history/evolution of thermodynamics. This is an excerpt from a biography of J. Willard Gibbs. The overview is available from the site in MS Word or pdf/Acrobat format.

Internal Combustion Engines Web Site - http://www.engr.colostate.edu/~allan/engines.html Thermodynamics and heat transfer in Internal combustion engine. Applets are used to perform simple calculations. Developed at Colorado State University.

Ideal Gas Law - http://jersey.uoregon.edu/vlab/Piston/index.html Applet illustrating the ideal gas law : action of a piston in a pressure chamber filled with ideal gas.

Applied Thermodynamics - http://www.taftan.com/thermodynamics/ Definition and short explanations of terms, units and basic principles.

Thermodynamics and Thermal Physics - http://physics.about.com/cs/thermodynamics/index.htm About.com's index to thermodynamics information.

Carnot cycle - http://www.phy.ntnu.edu.tw/java/carnot/carnot.html Applet showing the physics processes of a Carnot heat engine by Fu-Kwun Hwang of the National Taïwan Normal University.

The Expert System For Thermodynamics - http://kahuna.sdsu.edu/testcenter/ TEST is a visual environment to solve thermodynamics problems, pursue what-if scenarios and perform numerical experiments.

Thermo Fluids Engineering - http://www.tfe.wtb.tue.nl web page of the division of the Eindhoven University of Technology which study processes where fluid flows and heat transfer play a prominent role.

Thermodynamics from Prof. Ian Waitz - http://web.mit.edu/16.unified/www/FALL/thermodynamics/index.html Basic thermodynamics course of 12 lectures, contains else the self-control questions with statistics of answers.

Fundamentals of Thermodynamics - http://puccini.che.pitt.edu/~karlj/Classes/CHE2101/ Lecture notes and problems from University of Pittsburg.

Thermodynamics and Its Applications - http://web.mit.edu/testerel/thermo/ Companion site to the textbook by J. W. Tester and M. Modell, includes answers to selected problems and current errata.

Thermodynamics toys. - http://www.scitoys.com/scitoys/scitoys/thermo/thermo2.html Study thermodynamics having a fan. This site contains a "couple" of interesting toys recepies with thermidynamics background.

About Temperature - http://my.unidata.ucar.edu/content/staff/blynds/tmp.html A very basic (prepared for the middle school math teachers) tutorial but still useful for professionals.

Converter of physical unit. - http://www.members.optusnet.com.au/ncrick/converters/heat.html Comprehensive converter of different physical units, including thermodynamics.

Basic Terms and Theory - http://www.engineersedge.com/thermodynamics/table_contents.htm from Engineers Edge. A definitions, short explanations and conection of basic thermodynamics therms.

Thermodynamics and Statistical Physics - http://sky.net.co/physics/termo.html Collection of educational sites explaining all aspects of thermodynamics.

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Complex Olfactory System Clarified
This Article Also Appears In
* Ear, Nose and Throat

Main Category: Neurology / Neuroscience News
Article Date: 13 Apr 2006
Saturday, April 29, 2006

NATIONAL SMELL or OLFACTORY DAY
Yale scientists have systematically 
plotted the responses of the entire 
Drosophila (fruit fly) olfactory system, 
providing the first multi-dimensional 
map of the range of odorants sensed 
and the regions of the brain 
that are stimulated. 
John Carlson, the Eugene Higgins 
Professor of Molecular, Cellular 
and Developmental Biology and 
Elissa Hallem, his former graduate 
student in the Interdepartmental 
Neuroscience Program, published 
the comprehensive study in the 
journal Cell.
"The results of our analysis 
allow us to make predictions 
about which odors smell alike 
to an animal, and which smell 
different," 
said Carlson. "These predictions 
can now be tested in behavioral 
experiments and may help point 
us to insect attractants and 
repellants that are highly effective."
This paper provides particular insight 
into the understanding of how animals 
perceive environmental smells that 
are often complex mixtures of molecular structures. The study identifies compounds that both stimulate and inhibit response in odor neurons, 
and the differences in response that are due to concentration and duration of exposure to a compound.
"We were surprised to find that inhibitory responses 
are widespread among odor receptors," said Carlson. 
"Most receptors are inhibited by at least one odor, 
and most odors inhibit at least one receptor. 
Although previous work has been concerned mainly 
with excitatory responses of receptors, our results
 suggest that inhibition may play a major role 
in how odors are identified."
The paper further shows how the responses of the receptor repertoire map into the brain. Surprisingly, receptors with similar odor specificities often map to widely separated locations and receptors with very different specificities often map to neighboring locations.


Carlson and Hallem, who have published extensively 
in this system over the past several years, 
found that individual receptors range along 
a continuum from "narrowly tuned" to "broadly tuned" 
to odorants. This finding moves the concept of the system beyond the previous picture of a simple dichotomy between specialist and generalist receptors. 
Hallem is now a postdoctoral researcher at the California Institute of Technology in Pasadena, CA. 
This work was funded by NIH grants and by a 
National Research Service Award pre-doctoral fellowship. 
Citation: Cell 125: 143-160 (April 7, 2006)

Physical Chemistry

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