- quantum chemical molecular dynamics
- Макаров: квантовохимическая молекулярная динамика
Универсальный англо-русский словарь. Академик.ру. 2011.
quantum chemical molecular dynamics
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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
Quantum chemistry — is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one … Wikipedia
Chemical physics — is a subdiscipline of chemistry and physics that investigates physicochemical phenomena using techniques from atomic and molecular physics and condensed matter physics; it is the branch of physics that studies chemical processes from the point of … 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 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 models of DNA — While this purified DNA precipitated in a water jug (left) appears to be a formless mass, nucleic acids actually possess intricate structure at the nanoscale (right). M … Wikipedia
Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia
chemical kinetics — Introduction the branch of physical chemistry (chemistry) that is concerned with understanding the rates of chemical reactions (chemical reaction). It is to be contrasted with thermodynamics, which deals with the direction in which a… … Universalium
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
Chemical biology — is a scientific discipline spanning the fields of chemistry and biology that involves the application of chemical techniques and tools, often compounds produced through synthetic chemistry, to the study and manipulation of biological systems.… … Wikipedia
Quantum biology — is a speculative and interdisciplinary field that seeks to link quantum physics and the life sciences [cite book | last = Tae Chang Kim| first = Eric Chaisson | title = Science, Education and Future Generations| publisher = Taylor Francis Ltd|… … Wikipedia
