The trouble with resonance energies: a Hückel theory topic
نویسندگان
چکیده
منابع مشابه
The trouble with twisting (2,0) theory
We consider a twisted version of the abelian (2,0) theory placed upon a Lorenzian six-manifold with a product structure,M6 = C×M4. This is done by an investigation of the free tensor multiplet on the level of equations of motion, where the problem of its formulation in Euclidean signature is circumvented by letting the time-like direction lie in the two-manifold C and performing a topological t...
متن کاملPharmacophore annotation using extended Hückel theory
Pharmacophore models play an essential role in drug discovery. Generating pharmacophore models which encode accurate molecular recognition features are highly dependent on properly defined annotations. Simplistic or ill-defined pharmacophore annotations which do not capture subtle electronic or geometric effects lead to many inaccuracies. SMARTS patterns which are often used to specify annotati...
متن کاملIlluminating Trouble Tickets with Sublanguage Theory
A study was conducted to explore the potential of Natural Language Processing (NLP)based knowledge discovery approaches for the task of representing and exploiting the vital information contained in field service (trouble) tickets for a large utility provider. Analysis of a subset of tickets, guided by sublanguage theory, identified linguistic patterns, which were translated into rule-based alg...
متن کاملThe Trouble with Chemical Energy: Why Understanding Bond Energies Requires an Interdisciplinary Systems Approach
Helping students understand "chemical energy" is notoriously difficult. Many hold inconsistent ideas about what energy is, how and why it changes during the course of a chemical reaction, and how these changes are related to bond energies and reaction dynamics. There are (at least) three major sources for this problem: 1) the way biologists talk about chemical energy (which is also the way we t...
متن کاملDensity fluctuations in an electrolyte from generalized Debye-Hückel theory.
Near-critical thermodynamics in the hard-sphere (1, 1) electrolyte is well described, at a classical level, by Debye-Hückel (DH) theory with s1, 2d ion pairing and dipolar-pair-ionic-fluid coupling. But DH-based theories do not address density fluctuations. Here density correlations are obtained by functional differentiation of DH theory generalized to nonuniform densities of various species. T...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Química Nova
سال: 2005
ISSN: 0100-4042
DOI: 10.1590/s0100-40422005000500035