Search results
Results from the WOW.Com Content Network
C 6 Cr 23: chromium carbide: 12105-81-6 C 6 F 14 NO: pentafluoronitrosobenzene: 1423-13-8 C 6 F 10: decafluorocyclohexene: 355-75-9 C 6 F 10 O 2: octafluoroadipoyl fluoride: 37881-62-2 C 6 F 10 O 3: pentafluoropropionic anhydride: 356-42-3 C 6 F 13 I: perfluorohexyl iodide: 355-43-1 C 6 HBr 5 O: pentabromophenol: 608-71-9 C 6 HCl 3 O 2 ...
Several sets of OPLS parameters have been published. There is OPLS-ua (united atom), which includes hydrogen atoms next to carbon implicitly in the carbon parameters, and can be used to save simulation time. OPLS-aa (all atom) includes every atom explicitly.
Number of C atoms Number of isomers [3] [4] Number of isomers including stereoisomers [3] [5] Molecular Formula Name of straight chain Synonyms 1 1 1 CH 4: methane: methyl hydride; natural gas 2 1 1 C 2 H 6: ethane: dimethyl; ethyl hydride; methyl methane 3 1 1 C 3 H 8: propane: dimethyl methane; propyl hydride 4 2 2 C 4 H 10: n-butane: butyl ...
This is an index of lists of molecules (i.e. by year, number of atoms, etc.). Millions of molecules have existed in the universe since before the formation of Earth. Three of them, carbon dioxide , water and oxygen were necessary for the growth of life.
The total Coulomb energy is a sum over all pairwise combinations of atoms and usually excludes 1, 2 bonded atoms, 1, 3 bonded atoms, as well as 1, 4 bonded atoms [clarify]. [ 10 ] [ 11 ] [ 12 ] Atomic charges can make dominant contributions to the potential energy, especially for polar molecules and ionic compounds, and are critical to simulate ...
Other more exotic carbon–oxygen anions exist, such as acetylenedicarboxylate (O 2 C–C≡C–CO 2 2−), mellitate (C 12 O 9 6−), squarate (C 4 O 4 2−), and rhodizonate (C 6 O 6 2−). The anhydrides of some of these acids are oxides of carbon; carbon dioxide, for instance, can be seen as the anhydride of carbonic acid.
In chemistry, a hexose is a monosaccharide (simple sugar) with six carbon atoms. [1] [2] The chemical formula for all hexoses is C 6 H 12 O 6, and their molecular weight is 180.156 g/mol. [3] Hexoses exist in two forms, open-chain or cyclic, that easily convert into each other in aqueous solutions. [4]
Structures up to ten thousands of atoms can be analyzed on a workstation, and up to a billion atoms using supercomputing. Examples include properties of metals and alloys, [22] [23] mineral-organic interfaces, [24] protein- and DNA-nanomaterial interactions, [25] earth and building materials, carbon nanostructures, batteries, and polymer ...