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In chemistry, the hydron, informally called proton, [2] is the cationic form of atomic hydrogen, represented with the symbol H +The general term "hydron", endorsed by IUPAC, encompasses cations of hydrogen regardless of isotope: thus it refers collectively to protons (1 H +) for the protium isotope, deuterons (2 H + or D +) for the deuterium isotope, and tritons (3 H + or T +) for the tritium ...
In order to flatten the steep learning curve aqion provides an introduction to fundamental water-related topics in form of a "chemical pocket calculator". Second. The program mediates between two terminological concepts: The calculations are performed in the "scientific realm" of thermodynamics (activities, speciation, log K values, ionic ...
Royal Society of Chemistry: from 275 data sources "ChemSpider". 88,000,000 ChemIndex: chemical database substances CAS Search; suppliers "Chemindex". Clival Database Clinical Trail Database Clinical Trail Data Solutions 50,000 molecules clinical trail data Phase 0 to IV indications "clival". CMNPD Comprehensive Marine Natural Products Database
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
Chemical structures are traditionally represented using lines indicating chemical bonds between atoms and drawn on paper (2D structural formulae).While these are ideal visual representations for the chemist, they are unsuitable for computational use and especially for search and storage.
The data below tabulates standard electrode potentials (E°), in volts relative to the standard hydrogen electrode (SHE), at: Temperature 298.15 K (25.00 °C; 77.00 °F); Effective concentration (activity) 1 mol/L for each aqueous or amalgamated (mercury-alloyed) species; Unit activity for each solvent and pure solid or liquid species; and
Hydron: general name referring to the positive ion of any hydrogen isotope (H +) Proton: 1 H + (i.e. the cation of protium) Deuteron: 2 H +, D + Triton: 3 H +, T + In addition, the ions produced by the reaction of these cations with water as well as their hydrates are called hydrogen ions: Hydronium ion: H 3 O + Zundel cation: H 5 O 2 + (named ...
Spartan applies computational chemistry methods (theoretical models) to many standard tasks that provide calculated data applicable to the determination of molecular shape conformation, structure (equilibrium and transition state geometry), NMR, IR, Raman, and UV-visible spectra, molecular (and atomic) properties, reactivity, and selectivity.