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Molecular engineering is an emerging field of study concerned with the design and testing of molecular properties, behavior and interactions in order to assemble better materials, systems, and processes for specific functions.
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Molecular orbital theory was seen as a competitor to valence bond theory in the 1930s, before it was realized that the two methods are closely related and that when extended they become equivalent. Molecular orbital theory is used to interpret ultraviolet–visible spectroscopy (UV–VIS). Changes to the electronic structure of molecules can be ...
Atomic, molecular, and optical physics (AMO) is the study of matter–matter and light–matter interactions, at the scale of one or a few atoms [1] and energy scales around several electron volts. [2]: 1356 [3] The three areas are closely interrelated. AMO theory includes classical, semi-classical and quantum treatments.
The theory was extended to map chemical space with molecular assembly trees, demonstrating the application of this approach in drug discovery, [2] in particular in research of new opiate-like molecules by connecting the "assembly pool elements through the same pattern in which they were disconnected from their parent compound(s)".
The impact of valence theory declined during the 1960s and 1970s as molecular orbital theory grew in usefulness as it was implemented in large digital computer programs. Since the 1980s, the more difficult problems, of implementing valence bond theory into computer programs, have been solved largely, and valence bond theory has seen a resurgence.
The Hückel method or Hückel molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The theory predicts the molecular orbitals for π-electrons in π-delocalized molecules , such as ethylene , benzene , butadiene , and pyridine .
Another example is in biomedical engineering, where some transport phenomena of interest are thermoregulation, perfusion, and microfluidics. In chemical engineering, transport phenomena are studied in reactor design, analysis of molecular or diffusive transport mechanisms, and metallurgy.
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