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  2. Comparison of software for molecular mechanics modeling

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

    Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...

  3. Kilocalorie per mole - Wikipedia

    en.wikipedia.org/wiki/Kilocalorie_per_mole

    The kilocalorie per mole is a unit to measure an amount of energy per number of molecules, atoms, or other similar particles. It is defined as one kilocalorie of energy (1000 thermochemical gram calories) per one mole of substance. The unit symbol is written kcal/mol or kcal⋅mol −1. As typically measured, one kcal/mol represents a ...

  4. List of quantum chemistry and solid-state physics software

    en.wikipedia.org/wiki/List_of_quantum_chemistry...

    The programs include both open source and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years. Most of them are large, often containing several separate programs, and have been developed over many years.

  5. Calorie - Wikipedia

    en.wikipedia.org/wiki/Calorie

    The calorie is a unit of energy that originated from the caloric theory of heat. [1] [2] The large calorie, food calorie, dietary calorie, kilocalorie, or kilogram calorie is defined as the amount of heat needed to raise the temperature of one liter of water by one degree Celsius (or one kelvin).

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    1. Search your inbox for the subject line 'Get Started with AOL Desktop Gold'. 2. Open the email. 3. Click Download AOL Desktop Gold or Update Now. 4. Navigate to your Downloads folder and click Save. 5. Follow the installation steps listed below.

  7. Activation energy - Wikipedia

    en.wikipedia.org/wiki/Activation_energy

    The activation energy (E a) of a reaction is measured in kilojoules per mole (kJ/mol) or kilocalories per mole (kcal/mol). [2] Activation energy can be thought of as the magnitude of the potential barrier (sometimes called the energy barrier) separating minima of the potential energy surface pertaining to the initial and final thermodynamic state .

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    AOL Desktop Gold combines all the things that you know and love about AOL, with the speed and reliability of the latest technology. AOL APP News / Email / Weather / Video

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