1JN-H is related to the N−H distance and the hybridization of the donor N atom. One-bond H···N coupling constants (1hJH-N) are positive (1hKH-N are negative) for traditional hydrogen bonds, but 1hJH-N becomes negative when the hydrogen bond acquires sufficient proton-shared ...
In this study, based on density functional theory, we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We call these new nanostructures fullerynes, according to IUPAC. We present four samples with the chemical f
Here, Hl is a hidden-to-hidden filter matrix in each layer l and five different types of such filters, Hl1 ··· Hl5 are used for each layer in our case, each corresponds to the number of bonds each atom can have [9]. Also, f is a smoothing function to make it insusceptible to...
The B 2s, 2p states and the Be 2p states show a wide hybridization with O 2p states from −7 to 0 eV, indicating that the B-O and Be-O bonds, that belong to the the main contribution to (CB) is mainly occupied bthyethtoep2opfstthaeteVs oBfiNnath, Be eN, aBBaenBdOO3 ...
Accordingly, the recommended hybridization of machine learning models was found as a suitable substitute for empirical models [39]. This study aims to build an ensemble method-based bond strength predictive model that is to be trained from a large dataset of single-lap shear bond tests on FRP–...
First, oxidation has eliminated the highly reactive dangling bonds and trihydrides (only one Si–Si backbond attached), which contributes to the initial fast dissolution phase. This is in agreement with the observation from the study of heat annealing of a silicon wafer, from which the number ...
As the sole stock exchange in Nepal, NEPSE oversees the listing and trading of various financial instruments, including stocks, bonds, and mutual funds, contributing to the country’s financial infrastructure and market stability (Shrestha and Lamichhane 2021, 2022). The close price of the NEPSE ...