Over the past decades, transition-metal catalysis has made significant achievements in production of high-value-added compounds from readily available chemicals.1 In this realm, two pivotal aspects considered by the community are the chemo- and regioselectivity, and tremendous efforts have been devoted...
Borates are in the spotlight owing to their extended structural diversity and broad applications in the design of photonic and optoelectronic devices1,2,3,4,5, nuclear waste separation and sequestration6,7, commercial glasses8,9, amorphous oxide catalysts10,11, as well as Li-ion12,13and Mg-i...
While electrostatic interactions—that are not ion specific—dominates at low salt concentration (e.g. below 10−3 M), non-electrostatic forces emerge when the concentration of the ions is rather large (usually higher than 10−2 M) and directly depend on the nature of the single ion...
Attention is drawn to the fact that the values for these parameters are substantially different from the corresponding values for the oxygen atom of the carbonyl group. It is difficult to explain such a difference by the properties of the molecules themselves. On the other hand if the assumption...
The highly selective platinum-based drugs, in particular the seminal drug cisplatin [2a,b]: cis-[PtCl2(NH3)2] (Fig. 1a) have made a remarkable impact in cancer therapy. Platinum based drugs are known for targeting the DNA of tumour cells, preventing cell replication and tumour development ...
When such models are fitted within... AE Gelfand,KSN Maceachern - 《Journal of the American Statistical Association》 被引量: 464发表: 2005年 A Measurement of the Angular Power Spectrum of the Microwave Background Made from the High Chilean Andes We report on a measurement of the angular ...
The number density should generally be usedwhen investigating liquid–liquid phase transitions that are well separated from a liquid–gas transition[47]. The application of the partial density as variable, however, requires the knowledge of the densityas function of temperature and concentration. In ...
kilocalories per angstrom per mole and square angstroms, when the electric fieldEand polarizabilityαare in atomic units and cubic angstroms. The existing implementation of conjugate gradient minimization in Tinker was utilized to compute the mutual induced dipoles that produce the local field at each...
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(e.g., zwitterions)) or that can be made to contain a charge. Methods for producing a charge in a molecule, portion of a molecule, cluster of molecules, molecular complex, moiety, or atom are disclosed herein and can be accomplished by methods known in the art, e.g., protonation, ...