Coupled pair

Bartlett R J and Purvis G D 1978 Many-body perturbation theory coupled-pair... 

Bartlett R J and Purvis G D 1978 Many-body perturbation theory coupled-pair many-electron theory and the importance of quadruple excitations for the correlation problem int. J. Quantum Chem. 14 561-81... 

Coupled—Pair Functional (ACPF) and Coupled Electron Pair Approximation (CEPA). The simplest form of CEPA, CEPA-0, is also known as Linear Coupled Cluster Doubles (LCCD). 

Figure4.7 Relativistic bond contractions A re for Au2 calculated in the years from 1989 to 2001 using different quantum chemical methods. Electron correlation effects Acte = te(corn) — /"e(HF) at the relativistic level are shown on the right hand side of each bar if available. From the left to the right in chronological order Hartree-Fock-Slater results from Ziegler et al. [147] AIMP coupled pair functional results from Stbmberg and Wahlgren [148] EC-ARPP results from Schwerdtfeger [5] EDA results from Haberlen and Rdsch [149] Dirac-Fock-Slater...

Identification of spin-coupled pairs of nuclei COSY... 

Another solid phase fragment condensation with CDI and 1-hydroxybenzotriazole in the synthesis of the human insulin B-chain afforded the oligopeptide in 75% yield. The reaction time with the coupling pair CDI/HOBt was shorter than in the case of the DCC/ HOBt system.136 The CDI/HOBt activation method was also applied to the synthesis of a... 

Functionalized sugars and amino acids have been used to create unique morpholine scaffolds which were further elaborated to create a second generation of morpholino derivatives following the precepts of the build/couple/pair approach [73]. 

Kofraneck and coworkers24 have used the geometries and harmonic force constants calculated for tram- and gauche-butadiene and for traws-hexatriene, using the ACPF (Average Coupled Pair Functional) method to include electron correlation, to compute scaled force fields and vibrational frequencies for trans-polyenes up to 18 carbon atoms and for the infinite chain. 

The modeler controls which redox reactions should be in equilibrium by interactively coupling or decoupling the redox pairs. For each coupled pair, the model uses the corresponding coupling reaction to eliminate redox species from the reactions in the database. For example, if the pair Fe+++-Fe++ is coupled, the model adds the coupling reaction to the reaction for hematite,... 

Interpret a COSY spectra easily, because without it finding the coupled pairs of hydrogens is mostly not only ambiguous but also time-consuming, and... 

The current noise signal was monitored by using a sensitive, low noise zero resistance ammeter (ZRA) to couple pairs of identical electrodes the ZRA acting as a current to voltage converter. This derived potential signal was then fed into a potential noise monitor. 

R. Ahlrichs and P. Scharf The Coupled Pair Aproximation., in K. P. Lawley (ed.) Ab Initio Methods in Quantum Chemistry. Parti., J. Wiley Sons, Chichester, (1987). 

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