Results 241 to 250 of about 1,185,923 (296)

Magnetic resonance energy and topological resonance energy

Physical Chemistry Chemical Physics, 2016
Magnetic resonance energy (MRE) derived from the ring-current diamagnetic susceptibility was examined in conjunction with topological resonance energy (TRE).
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Topological resonance energy, bond resonance energy, and circuit resonance energy

Journal of Physical Organic Chemistry, 2007
AbstractCircuit resonance energy (CRE) is a key quantity that links energetic and magnetic criteria of aromaticity for a polycyclic π‐system. Topological resonance energy (TRE) correlates well with the sum of CREs for an entire π‐system. We found that bond resonance energy (BRE), so far defined to estimate the degree of kinetic stability for a ...
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Fluorescence resonance energy transfer

Current Opinion in Biotechnology, 1995
In the past year, a number of studies have demonstrated the utility of fluorescence resonance energy transfer as a technique for probing complex intermolecular interactions and for determining the spatial extension and geometrical characteristics of multicomponent structures composed of diverse molecular constituents, such as proteins, lipids ...
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Resonance Energies of Vinylcarbenes

The Journal of Organic Chemistry, 2008
The stabilization energy provided by resonance in singlet and triplet vinylcarbenes is evaluated using density functional and G3 theory, without symmetry restriction. Structural and charge change upon rotation are reviewed with singlet vinylcarbene exhibiting a larger barrier (1s-TS-1s-E), 5.49 (7.10) kcal/mol, than triplet (1t-TS-1t-E), 4.06 (4.54 ...
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Resonance Energy in Graphite

Journal of Chemical Information and Computer Sciences, 2004
According to Zhu et al. the resonance energy/electron (REPE) in infinite graphite sheets is equal to 0.17 eV. In the present work the REPE was calculated for parallelogram-shaped graphite sheets (PSGSs). The number of Kekulé structures and contributions of benzene-like and naphthalene-like conjugated circuits were taken into account.
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Multichromophoric Förster Resonance Energy Transfer

Physical Review Letters, 2004
The theory of Förster resonance energy transfer is generalized for multichromophoric (MC) and nonequilibrium situations. For the first time, it is clarified that the far-field linear spectroscopic information is insufficient for the determination of the reaction rate and that distance dependence of the rate can vary with the disorder and temperature ...
Seogjoo, Jang   +2 more
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Principles of Resonance Energy Transfer

Current Protocols in Cytometry, 2006
AbstractThis unit describes the basic principles of the fluorescence resonance energy (FRET) process. In addition, it characterizes available parameters and instruments for FRET measurements, discusses limitations, and shows a few examples of the application of FRET.
János, Szöllosi   +4 more
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Topological Resonance Energy of Fullerenes

Journal of Chemical Information and Computer Sciences, 1997
A new algorithm for computation of a matching polynomial is outlined. It has been successfully applied for evaluation of the topological resonance energy (TRE) elf all fullerene isomers with up to, and including, 70 carbon atoms. The obtained results indicate a high correlation between TRE values and pi-electronic energies (E-pi), which was found to be
Babić, Darko   +2 more
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