molecular calculations

molecular calculations
molekularni računi
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molekularni računi

English-Croatian dictionary. 2013.

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  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Molecular graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene …   Wikipedia

  • Molecular design software — is software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs such as the molecular dynamics and quantum chemistry programs, such software directly… …   Wikipedia

  • Molecular mechanics — A force field is used to minimize the bond stretching energy of this ethane molecule. Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force… …   Wikipedia

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  • Molecular mass — This article is about the mass of a single molecule. For the mass of a substance commonly used in basic stoichiometric calculations, see Molar mass. Assuming hydrogen and oxygen are standard weights in this image (as opposed to deuterium oxide)… …   Wikipedia

  • Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li …   Wikipedia

  • Molecular Hamiltonian — In atomic, molecular, and optical physics as well as in quantum chemistry, molecular Hamiltonian is the name given to the Hamiltonian representing the energy of the electrons and nuclei in a molecule. This Hermitian operator and the associated… …   Wikipedia

  • Molecular nanotechnology — Part of a series of articles on Molecular Nanotechnology …   Wikipedia

  • Molecular orbital theory — In chemistry, molecular orbital (MO) theory is a method for determining molecular structure in which electrons are not assigned to individual bonds between atoms, but are treated as moving under the influence of the nuclei in the whole… …   Wikipedia

  • Molecular Modelling Toolkit — MMTK Original author(s) Konrad Hinsen Initial release 4 January 2000 (2000 01 04) Stable release 2.7.4 / 28 April 2011; 6 months ago (2011 04 28) …   Wikipedia

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