Articles are categorized according to the following topical areas:
Fluid Mechanics and Transport Phenomena
Particle Technology and Fluidization
Process Systems Engineering
Reactors Kinetics and Catalysis
Materials Interfaces and Electrochemical Phenomena
Bioengineering Food and Natural Products
Environmental and Energy Engineering
Fluid mechanics and transport phenomena; particle technology and fluidization; separations; process systems engineering; reactors, kinetics, and catalysis; materials, interfaces, and electrochemical phenomena; thermodynamics; bioengineering, food, and natural products; and energy and environmental engineering, journal, online journal, Wiley Online Library ·
This directory was created to serve as an on-line professional network for graduate students, post-doctoral fellows, and faculty members in Departments of Chemistry in Canada. It is an updateable database that highlights information useful for career management in the chemical sciences. ·
Each issue of CEP is packed with practical information you can apply to current or future projects. Gain insight on technical issues like safety, environmental management, fluids and solids handling, reactions and separations, information technology, and more. AIChE members have complete access to all issues online. ·
Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage.
Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work. ·
Established in 1969 the CPC Program Library now contains more than 2200 programs in computational physics and chemistry. Papers describing the programs are published in the Computer Physics Communications Journal and are available online via Science Direct. ·
ESTEST (es-test) is a framework to facilitate the verification and comparison of Electronic Structure codes like Qbox, Quantum Espresso, Siesta, ABINIT, and The Exciting Code. The ESTEST framework consists of three components: automated input/output handling; translation to unified-representation (UR) XML format tools; rich web interface.
On April 19, 1943, Swiss chemist Albert Hofmann in the Sandoz (now Novartis) laboratories in Basel, Switzerland performed a self-experiment to determine the true effects of LSD, intentionally ingesting 0.25 milligrams (250 micrograms) of the substance, an amount he predicted to be a threshold dose (an actual threshold dose is 20 micrograms). While riding home on his bicycle, he experienced the very first LSD trip, now referred to as “Bicycle Day”, and proved that he had indeed made a significant discovery.
On November 19, 1807, British chemist and inventor Humphry Davy reported to the Royal Society about the isolation of potassium and sodium from different salts by electrolysis. Davy was one of the pioneers in the field of electrolysis using the newly invented voltaic pile to split up common compounds and thus prepare many new elements. ·
Industrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a bi-monthly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.
Papers may be based on work that is experimental or theoretical, mathematical or descriptive, chemical or physical. In addition to fundamental research (in such areas as thermodynamics, transport phenomena, chemical reaction kinetics and engineering, catalysis, separations, interfacial phenomena, and materials), papers may deal with process design and development (for example, synthesis and design methods, systems analysis, process control, schemes for data correlation, modeling and scale-up procedures, etc.) and product research and development involving chemical and engineering aspects (for example, catalysts, plastics, elastomers, fibers, adhesives, coatings, paper, membranes, lubricants, ceramics, aerosols, etc.).
In addition to traditional subjects, papers dealing with new areas of science and technology that fit the broad scope and objectives of the journal are encouraged. ·
MOPAC (Molecular Orbital PACkage) is a semiempirical quantum chemistry program based on Dewar and Thiel's NDDO approximation. Available at this site are the open source version (OpenMOPAC) and information on the commerical version. ·
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Included are ready-to-use programs, and complete programmer's toolkit that read, write and convert over 110 chemical file formats. Filtering and searching of molecular files using SMARTS and other methods is also possible. Support for many data formats used in molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry. ·
POTLIB is an online library of global and semiglobal potential energy surface subprograms for calculating Born-Oppenheimer energies as a function of nuclear geometry. The library currently features more than 250 potential energy routines for a wide range of chemical systems. Our goal is to facilitate chemical dynamics research by collecting and disseminating a comprehensive collection of state-of-the-art potential energy routines (developed by a wide, international group of researchers) with systematic and well-defined interfaces for use with chemical dynamics programs. ·
The objectives of the Journal are:
to publish papers based upon authoritative lectures presented at IUPAC sponsored conferences, symposia and workshops.
to publish papers or collections of papers by invitation, as special topic features.
to publish IUPAC Recommendations on nomenclature, symbols and units.
to publish IUPAC Technical Reports on standardization, recommended procedures, collaborative studies, data compilations, etc. ·
SAPT is a collection of computer codes designed to implement the many-body (body = electron) version of Symmetry-Adapted Perturbation Theory for intermolecular interactions. This code has been extensively used in studies of intermolecular forces. For a description of SAPT see: B. Jeziorski, R. Moszynski, and K. Szalewicz “Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes”, Chem. Rev. 94, 1887-1930 (1994). ·
The Computational Chemistry List (CCL) was established on January 11, 1991, as an independent electronic forum for chemistry researchers and educators from around the world. ·