Central Energy Plant / Spillman Farmer Architects. Image © Parham Taghioff Just as fashion designers use pins, needles and textiles to bring their creations to life, architects rely on materials to shape our built environment. From steel and glass to wood and concrete, these form the artistic...
Explain how to determine how and if atoms have valence electrons. What do atoms form when they share electron pairs? Conduction of electricity is a property of all metals. Explain how the bonding in metals allows them to have this property. ...
Recent advances in improved force fields and sampling methods have made it possible for the accurate calculation of protein–ligand binding free energies. Alchemical free energy perturbation (FEP) using an explicit solvent model is one of the most rigorous methods to calculate relative binding free en...
The most popular tool used to characterize binding in the late-discovery phase of drug development is isothermal titration calorimetry (ITC). ITC is a high-resolution method for complete characterization of the basic chemical details of a binding interac
Extensive ab initio MP2/aug'-cc-pVTZ studies have been carried out in our laboratories to determine the structures, binding energies, bonding properties, a... I Alkorta,JED Bene,J Elguero - Springer International Publishing 被引量: 33发表: 2015年 Accurate ab initio‐based double many‐body ...
Spintronics in halide perovskites has drawn significant attention in recent years, due to their highly tunable spin-orbit fields and intriguing interplay with lattice symmetry. Here, we perform first-principles calculations to determine the spin relaxati
In the energy field, the EU has tended to act through the adoption of framework directives, rather than regulations. Regulations set broad objectives or targets to be achieved, but leave the Member States considerable freedom (within constraints) to determine how these objectives should be met. Fr...
The reorganization energy (λ) is one of the key parameters that determine the hole transport rate of HTMs [40,41]. A faster hole transport can be achieved with a lower reorganization energy. Normally, the reorganization energy comes from the contributions of nuclear reorganization energy and exte...
The technique of velocity map imaging has been used to determine the dissociation energy for the process p-difluorobenzene-Ar 2rarrp-difluorobenzene-Ar+Ar. The aim of the experiment was to obtain a value for comparison with the dissociation energy for the process p-difluorobenzene-Arrarrp-di...
M. Looking beneath the surface to determine what makes DNA damage deleterious. Curr. Opin. Chem. Biol. 21, 48–55 (2014). Article CAS PubMed Google Scholar Schaaper, R. M., Kunkel, T. A. & Loeb, L. A. Infidelity of DNA synthesis associated with bypass of apurinic sites. Proc....