The halogen (F, Cl, Br, I) and H2O systematics of Samoan lavas: Assimilated-seawater, EM2 and high-3He/4He components
نویسندگان
چکیده
منابع مشابه
Ab initio study of hydrated potassium halides KX(H2O)1-6 (X=F,Cl,Br,I).
The ionic dissociation of salts was examined with a theoretical study of KX (X=F,Cl,Br,I) hydrated by up to six water molecules KX(H2O)n (n=1-6). Calculations were done using the density functional theory and second order Møller-Plesset (MP2) perturbational theory. To provide more conclusive results, single point energy calculations using the coupled cluster theory with single, double, and pert...
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CX (X = F, Cl, Br, I) and CE bonding (E = O, S, Se, Te) was investigated for a test set of 168 molecules using the local CX and CE stretching force constants k(a) calculated at the M06-2X/cc-pVTZ level of theory. The stretching force constants were used to derive a relative bond strength order (RBSO) parameter n. As alternative bond strength descriptors, bond dissociation energies (BDE) were ca...
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A series of ring-shaped molecular complexes formed by H(3)N, HF and XY (X = Cl, Br and Y = F, Cl, Br) have been investigated at the MP2/aug-cc-pVTZ level of theory. Their optimized geometry, stretching mode, and interaction energy have been obtained. We found that each complex possesses two red-shifted hydrogen bonds and one red-shifted halogen bond, and the two hydrogen bonds exhibit strong co...
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Nuclear magnetic resonance (NMR) spectroscopy analyzes the magnetic properties of an active nucleus for physical and chemical determination. Important information about chemical bonding and molecular structure are provided by chemical shifts (δ) and spin-spin coupling parameters.[1,2] The chemical shift (δ) trends for halogen (X) in different nuclei (Te, C, La, P, etc.) have been investigated e...
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according to research, academic self-concept and academic achievement are mutually interdependent. in the present study, the aim was to determine the relationship between the academic self-concept and the academic achievement of students in english as a foreign language and general subjects. the participants were 320 students studying in 4th grade of high school in three cities of noor, nowshah...
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ژورنال
عنوان ژورنال: Earth and Planetary Science Letters
سال: 2015
ISSN: 0012-821X
DOI: 10.1016/j.epsl.2014.11.026