解晶体发现如下问题,B类错误: Low Bond Precision on C-C Bonds ... 0.0500 Ang. 如何解决???不解决如何解释?这个错误可能是晶体中存在C-C连接距离为1.2造成的,不知这个C-C键是否合理,并且无法确定其为双键还是三键,应该如何处理确定是什么类型化学键。希望给予解释。金币不够可追加!!!谢谢 返回小木虫查看更多...
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ... 0.0108 Ang.
3e)63,64. ALTBC indicates the bond length distribution of two Ge-Te bonds in the three-body structure (i.e. Ge-Te-Ge and Te-Ge-Te) with an angle greater than 155°. the PES error here (εe = 7.62 meV/atom as shown in Fig. 2e) is much smaller than εa-c and ε...
Jim Young:Hi and welcome to The Purposeful Banker, the podcast brought to you by PrecisionLender, where we discuss the big topics on the minds of today's best bankers. I'm your host, Jim Young, Director of Content, PrecisionLender. I'm joined again today by Dallas Wells, our EVP of ...
A slight anomaly in the relaxation behavior of pyridine and its stronger-than-expected binding to PVF was plausibly explained (using high-precision quantum mechanical calculations) by additional formation of weak C-H...O bonds to the neighboring units. 展开 ...
However, for N molecular orbitals, the \({\mathcal{O}}({N}^{4})\) gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes simulation based on such primitives challenging. We substantially reduce the gate complexity of such primitives through a two-step low-...
(metastable) parent anion, NIMO−, without the cleavage of chemical bonds. This anion is observed within a very narrow main peak close to zero eV electron energy as shown in Fig.1. We determined the absolute cross-section of this associative attachment (AA) process to be ~3 × 10...
[Math Processing Error]together with the bond. The[Math Processing Error]molecules form two H-bonds (donor and acceptor). For[Math Processing Error](Fig.2a and b), only one lowest free-energy structure is obtained, while for[Math Processing Error](Fig.2c–h), two isomers exhibit nearly ...
Further, it can be desirable to bond the embedded metallic structures of adjacent stacked dies to form conductive interconnects between the dies. Generally, the metallic structures are bonded using heated annealing techniques to form diffusion bonds. However, the temperatures used to perform the anneali...
However, even though the present adhesive bonds well to low surface energy surfaces, the invention is not limited to being bonded to low surface energy substrates, as it has been found that the inventive adhesive can also bond well to higher surface energy substrates such as, for example, ...