Sentence examples for bond contribution from inspiring English sources

The hBN exhibits similar XPS spectra (Additional file 1: Figure S1) except that there is a slightly reduced B O bond contribution in B1s peak and absence of N H bond contribution in N1s peak.

Models of relationships between structure and flash point of 92 alkanes were constructed by means of artificial neural network (ANN) using group bond contribution method.

Knowing that function, one can explicitly identify a water hydrogen bond contribution to the external potential whereto a water molecule is subjected near a hydrophobe.

The C1s spectra for the untreated and treated polymer films were deconvoluted into five component peaks, which were C = C at 284.6 eV, C-C at 285 eV, C-O at 286.2 eV (includes a small C-N bond contribution at 285.9 eV), C = O at 287.7 eV (includes a small C = N bond contribution at 288.0 eV), and O-C = O at 289.4 eV [18 21].

Comparing several methods of KH estimation (experimental, bond contribution, MCI, and LSER), Brennan et al.

As chemical structures become more complex, the bond contribution method is more likely to become inaccurate.

I just really, really, really, really resent being painted — all of us who've chosen to live in whatever country — as tax-evaders, you know?" Because she has signature authority over her son's account, she is taxable by the United States for all grants and bond contributions that the Canadian government has contributed to her son's savings plan, she said.

Second, the TOPS-MODE approach afforded the bond contributions – expressed as fragment contributions to the carcinogenic activity – that can be interpreted and provide tools for better understanding the mechanisms of carcinogenesis.

In this study we developed a QSAR model for a heterogeneous group of substances with TOPS-MODE descriptors for an interpretation of the antioxidant activity of these compounds in the form of bond contributions.

Glide-XP and quantum mechanics polarized ligand (QPLD-SP/XP) docking calculations revealed favorable binding at this position to be dominated by hydrogen bond contributions; none of the substitutions (including fluorine) out-performed the native –OH substituent which can act both as hydrogen bond donor and acceptor.

S hbond ext) measures the intermolecular hydrogen bond contributions to binding, and S lipo) is a lipophilic term that is calculated between nonpolar carbon, nonionic chlorine, bromine, and iodine, and nonaccepting sulphur atoms [ 29].