نتایج جستجو برای: isomer
تعداد نتایج: 6712 فیلتر نتایج به سال:
DFT calculations have been performed for all isomeric chlorofluoroethenes. The relative stabilities of different isomers have been calculated and compared with experimental enthalpies of formation. The DFT method, which uses the non-local density approximation (NLDA) and Becke-Lee-Yang-Parr functional, has been found to be a fairly reliable method for predicting relative thermodynamic stabilities.
F. Naqvi,1,2,* M. Górska,2 L. Cáceres,2,3,† A. Jungclaus,4 M. Pfützner,5 H. Grawe,2 F. Nowacki,6 K. Sieja,6 S. Pietri,7,‡ E. Werner-Malento,5,§ P. H. Regan,7 D. Rudolf,8 Z. Podolyák,7 J. Jolie,1 K. Andgren,9 T. Beck,2 P. Bednarczyk,2,10 J. Benlliure,11 G. Benzoni,12 A. M. Bruce,13 E. Casarejos,11,‖ B. Cederwall,9 F. C. L. Crespi,12,14 P. Detistov,15,¶ Zs. Dombrádi,16 P. Doornenbal,2,** H. Geiss...
The two major manufacturing techniques for perfluorochemicals can be distinguished based on the isomeric profile of their products. ECF (major use from 1950s to 2002) results in a product containing both linear and branched isomers, while telomerization (major use from 2002 to present) typically yields an isomerically pure, linear product. Among the most important question today, which has impl...
Large porphyrinoids with three Rh(CO)2 groups at their dipyrrin units shows two-step metal transposition through the macrocycle in solution and the equilibrium between the C3v-isomer and the Cs-isomer depends on the solvent polarity.
The cobalt glycyl-leucine dipeptide is a model system for studying the effects of Karplus equation calibration, molecular mechanics accuracy, backbone conformation, and thermal motions on the measurability of side chain rotational isomer populations. We analyze measurements of 8 vicinal coupling constants about the α to β-carbon and β to γ-carbon bonds of the leucine side chain and of 10 NOESY ...
a-Conotoxins are peptides isolated from the venom ducts of cone snails that target nicotinic acetylcholine receptors (nAChRs). They are valuable pharmacological tools and have potential applications for treating a range of conditions in humans, including pain. However, like all peptides, conotoxins are susceptible to degradation, and to enhance their therapeutic potential it is important to elu...
III. Formation of Carbon Clusters 2317 IV. Thermodynamic Properties 2319 V. C2 2319 A. Structure and Spectroscopy 2319 B. C2 2320 C. C2 2321 VI. C3 2321 A. Early Experimental Work 2321 B. Mid-IR and Far-IR Spectroscopy 2321 C. Electronic Spectroscopy 2323 1. The Σu + Ground State 2323 2. The AΠu State 2324 3. The Σu + State 2324 4. The aΠu and bΠg States 2325 5. Other Band Systems 2326 D. C3 in...
The process called biohydrogenation occurs mainly in ruminant animals and during it, unsaturated fatty acids, and particularly poly-unsaturated ones (linoleic and linolenic) coverts to a saturated form of stearic acid. For many years, the beneficial effects of biohydrogenation intermediate fatty acids like cis-9 trans-11 linoleic acid, the main natural isomer of conjugated linoleic acids (CLA),...
The physical conditions for the emergence of extremely low-lying nuclear isomer $^{229m}$Th at approximately 8 eV are investigated in framework our recently proposed structure model. Our theoretical approach explains $^{229m}$Th-isomer phenomenon as result a very fine interplay between collective quadrupole-octupole and single-particle dynamics nucleus. We find that isomeric state can only appe...
Dobutamine, a structural relative of dopamine, acts directly on alphaand beta-adrenergic receptors without the release of norepinephrine or activation of dopaminergic receptors. For clinical use, dobutamine is a racemic mixture of a levo-isomer acting as a potent alpha-1 agonist and a dextro-isomer counterbalancing this effect as an alpha-1 antagonist. Both isomers are complete beta-receptor ag...
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