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  2. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Proprietary, commercial or gratis fold.it download page Archived 2011-04-04 at the Wayback Machine: FoldX: I Yes Yes No No No No No No Energy calculations, protein design Proprietary, commercial or gratis CRG: GROMACS: No No Yes Yes No [2] Yes I Yes [3] Yes High performance MD Free open source GNU GPL: gromacs.org: GROMOS: No No Yes Yes Yes Yes ...

  3. Orders of magnitude (molar concentration) - Wikipedia

    en.wikipedia.org/wiki/Orders_of_magnitude_(molar...

    This page lists examples of the orders of magnitude of molar concentration. Source values are parenthesized where unit conversions were performed. M denotes the non-SI unit molar: 1 M = 1 mol/L = 10 −3 mol/m 3.

  4. Avogadro constant - Wikipedia

    en.wikipedia.org/wiki/Avogadro_constant

    The Avogadro constant, commonly denoted N A [1] or L, [2] is an SI defining constant with an exact value of 6.022 140 76 × 10 23 mol −1 (reciprocal moles). [ 3 ] [ 4 ] It defines the number of constituent particles in one mole , where the particles in question can be either molecules , atoms , ions , ion pairs, or any other elementary entities.

  5. Van der Waals constants (data page) - Wikipedia

    en.wikipedia.org/wiki/Van_der_Waals_constants...

    Download as PDF; Printable version; ... 11.77 0.07685 Carbon monoxide: 1.505 ... 1 dm 3 /mol = 1 L/mol = 1 m 3 /kmol = 0.001 m 3 /mol ...

  6. Table of specific heat capacities - Wikipedia

    en.wikipedia.org/wiki/Table_of_specific_heat...

    Table of specific heat capacities at 25 °C (298 K) unless otherwise noted. [citation needed] Notable minima and maxima are shown in maroon. Substance Phase Isobaric mass heat capacity c P J⋅g −1 ⋅K −1 Molar heat capacity, C P,m and C V,m J⋅mol −1 ⋅K −1 Isobaric volumetric heat capacity C P,v J⋅cm −3 ⋅K −1 Isochoric ...

  7. Molality - Wikipedia

    en.wikipedia.org/wiki/Molality

    The term molality is formed in analogy to molarity which is the molar concentration of a solution. The earliest known use of the intensive property molality and of its adjectival unit, the now-deprecated molal, appears to have been published by G. N. Lewis and M. Randall in the 1923 publication of Thermodynamics and the Free Energies of Chemical Substances. [3]

  8. Jmol - Wikipedia

    en.wikipedia.org/wiki/Jmol

    The name originated from ava (the programming language) + [mol]ecules, and also the mol file format. JSmol is an implementation in JavaScript of the functionality of Jmol. [ 4 ] It can hence be embedded in web pages to display interactive 3D models of molecules and other structures without the need for any software apart from the web browser ...

  9. Chemical table file - Wikipedia

    en.wikipedia.org/wiki/Chemical_table_file

    An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.