Use of van der Waals volume in structure-activity studies.
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چکیده
منابع مشابه
The van der Waals interaction
The interaction between charged particles via the Coulomb interaction is one of the most important features in physics and is familiar to any student of the subject. The way in which electrons and protons bind to form the hydrogen atom is also well known and is a staple of any quantum mechanics course. However, less familiar is the interaction between such bound systems at separation R, which i...
متن کاملDynamic van der Waals theory.
We present a dynamic van der Waals theory starting with entropy and energy functional with gradient contributions. The resultant hydrodynamic equations contain the stress arising from the density gradient. It provides a general scheme of two-phase hydrodynamics involving the gas-liquid transition in nonuniform temperature. Some complex hydrodynamic processes with evaporation and condensation ar...
متن کاملSupercurrent in van der Waals Josephson junction.
Supercurrent flow between two superconductors with different order parameters, a phenomenon known as the Josephson effect, can be achieved by inserting a non-superconducting material between two superconductors to decouple their wavefunctions. These Josephson junctions have been employed in fields ranging from digital to quantum electronics, yet their functionality is limited by the interface q...
متن کاملRipplocations in van der Waals layers.
Dislocations are topological line defects in three-dimensional crystals. Same-sign dislocations repel according to Frank's rule |b1 + b2|(2) > |b1|(2) + |b2|(2). This rule is broken for dislocations in van der Waals (vdW) layers, which possess crystallographic Burgers vector as ordinary dislocations but feature "surface ripples" due to the ease of bending and weak vdW adhesion of the atomic lay...
متن کاملInterpretation of van der Waals density functionals
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be interpreted in terms of a coupling of zero-point energies of characteristic modes of semilocal exchange-correlation (xc) holes. These xc holes reflect the internal functional in the framework of the vdW-DF method. We explore the internal xc hole components, showing that they share properties with thos...
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ژورنال
عنوان ژورنال: Chemical and Pharmaceutical Bulletin
سال: 1977
ISSN: 0009-2363,1347-5223
DOI: 10.1248/cpb.25.926