نتایج جستجو برای: تحلیل nbo

تعداد نتایج: 238143  

Journal: :Chemical communications 2014
Chengling Song Yabing He Bin Li Yajing Ling Hailong Wang Yunlong Feng Rajamani Krishna Banglin Chen

A new NbO-type metal-organic framework ZJNU-40 incorporating highly polarized benzothiadiazole moieties exhibits a high CO2 uptake of 108 cm(3) g(-1) at 296 K and 1 atm, as well as good adsorption selectivities of CO2 over CH4 and N2 at room temperature, which is superior to that of the analogous MOF NOTT-101.

Journal: :Inorganic chemistry 2009
Chen-Chuan Tsai Tzuoo-Tsair Luo Jen-Fu Yin Hong-Cheu Lin Kuang-Lieh Lu

A new bulky pyrene-derived elongated cross-shaped organic scaffold was successfully incorporated into a highly porous, noninterpenetrated square-grid copper(II)-organic framework material with the unprecedentedly huge dimensions of 25.5 x 25.5 A(2), while the layer-to-layer NH...N interaction leads to a unique hydrogen-bonded 6(4).8(2)-nbo net.

Journal: :NMR in biomedicine 2016
Damon P Cardenas Eric R Muir Timothy Q Duong

Hyperbaric oxygen (HBO) therapy has a number of clinical applications. However, the effects of acute HBO on basal cerebral blood flow (CBF) and neurovascular coupling are not well understood. This study explored the use of arterial spin labeling MRI to evaluate changes in baseline and forepaw stimulus-evoked CBF responses in rats (n = 8) during normobaric air (NB), normobaric oxygen (NBO) (100%...

Journal: :Organic & biomolecular chemistry 2010
Jari J Koivisto Esa T T Kumpulainen Ari M P Koskinen

Beta-turns play an important role in peptide and protein chemistry, biophysics, and bioinformatics. The aim of this research was to study short linear peptides that have a high propensity to form beta-turn structures in solution. In particular, we examined conformational ensembles of beta-turn forming peptides with a general sequence CBz-L-Ala-L-Xaa-Gly-L-Ala-OtBu. These tetrapeptides, APGA, A(...

Journal: :Journal of The Serbian Chemical Society 2022

Only one (trans(O5)-Na[Rh(ED3AP)]?3H2O) of possible two isomers was synthesized and characterized by single crystal X-ray analysis, IR UV?Vis spectroscopy. Computational analysis both performed with three levels theory (B3LYP/TZV, BP86/TZV, OPBE/TZV), which gave consistent results. The more stable isomer total energy ligand field stabilization (LFSE) trans(O5) appeared in synthesis. calculation...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 1981

Journal: :Earth and Planetary Science Letters 2021

In the accreting Earth and planetesimals, carbon was distributed between a core forming metallic melt, silicate hot, potentially dense atmosphere. Metal melt droplets segregating gravitationally from magma ocean equilibrated near its base. To understand distribution of carbon, partitioning two melts is experimentally investigated at 1.5–6.0 GPa, 1300–2000 °C oxygen fugacities ?0.9 to ?1.9 log u...

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