全部文献期刊学位论文会议报纸专利标准年鉴图书|学者科研项目
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作者:Safa Ali-Asgari , Jafar Izadi Nia , Samira Zali
来源:[J].Journal of Chemical Sciences(IF 1.298), 2017, Vol.129 (8), pp.1319-1325Springer
摘要:... Furthermore, the effect of the presence of catalyst was inspected by the NBO analysis in addition to kinetic studies. The calculations were performed by the Gaussian 09 program at the B3LYP/6-311++G** level of theory in the gas phase. Thermodynamically, the stability dif...
作者:Hailong Wang
来源:[J].Journal of Chemical Sciences(IF 1.298), 2017, Vol.129 (6), pp.775-782Springer
摘要:... Four distinct stable conformers (denoted as S1 – S4 ) were located and the bonding characteristics of these conformers were investigated with NBO and AIM analysis. It was revealed that S1 is formed by the edge(2-AP)-to-face(DDQ) linkage, which is stabilized by a moderat...
作者:ZHU Kong-Jun, SU Li-Kui, JI Hong-Li, QIU Jin-Hao, BAI Lin, YANAGISAWA Kazumichi, KAJIYOSHI Koji
来源:[J].Journal of Inorganic Materials(IF 0.531), 2010, Vol.25 (11), pp.1159DOAJ
摘要:Hydrothermal-solvothermal method was used to synthesize (K, Na)NbO3 powders with the addition of isopropanol. The influence of mineralizer concentration, reactive materials concentration on the phase, particle size, morphology and chemical composition of the products w...
作者:JingBo Zhao , HongLiang Du , ShaoBo Qu ...
来源:[J].Chinese Science Bulletin(IF 1.319), 2011, Vol.56 (22), pp.2389-2393Springer
摘要:...5 ) NbO 3 (KNN) based ceramics and KNN solid solutions, we propose a method to enhance the temperature stability of KNN materials. These materials are valuable for their piezoelectric properties. To verify the feasibility of this method, 0.9 (K 1− x Na x ) NbO 3 -0.06Li...
作者:Saied M. Soliman , Assem Barakat
来源:[J].Molecules(IF 2.428), 2016, Vol.21 (12)DOAJ
摘要:... Using AIM and natural bond orbital (NBO) analyses, we determined the type, nature, and strength of the interactions. All the studied complexes contain C-H⋯O interactions, and the presence of bond critical points along the intermolecular paths underlines their significa...
作者:A. Valizadeh , R. Ghiasi
来源:[J].Journal of Structural Chemistry(IF 0.575), 2017, Vol.58 (7), pp.1307-1317Springer
摘要:... NBO analysis is exploited to examine the hybridization of atoms, atomic charges, and their second order stabilization energy within the molecule.
作者:Daijiang Peng , Zhengguang Zou , Jinyun He ...
来源:[J].Journal of Wuhan University of Technology-Mater. Sci. Ed.(IF 0.484), 2017, Vol.32 (2), pp.403-407Springer
摘要:Series Bi3NbO7/Bi2Zn2/3Nb4/3O7 (BN/BZN) composites were synthesized through a facile solid state reaction method. The products were characterized by X-ray diffraction (XRD), field emission scanning electron microsc...
作者:Mansoureh Zahedi-Tabrizi , Farideh Badalkhani-Khamseh
来源:[J].Journal of the Iranian Chemical Society(IF 1.467), 2013, Vol.10 (4), pp.685-694Springer
摘要:Abstract(#br)A density functional theory (DFT) study-based method B3LYP/6-311++G** was carried out to investigate the methyl groups substitution effect on the structure and the strength of intramolecular hydrogen bonding in naphthazarin (NZ) (5,8-dihydroxy-1,4-naphthoquinone). Th...
作者:Fujiwara Norio , Murata Yoshihiro , Arai Ken ...
来源:[J].BMC Neuroscience(IF 3), 2009, Vol.10 (1), pp.79DOAJ
摘要:... Normobaric oxygen therapy (NBO) may be a useful physiological strategy that slows down the process of cerebral infarction, thus potentially allowing for delayed or more effective thrombolysis. In this study we investigated the effects of NBO started simultaneously with i...
作者:QIAN Zhe-Li, GU Hao-Shuang, HU Yong-Ming, ZHOU Di, WANG Zhao, XIA Hua-Ting
来源:[J].Journal of Inorganic Materials(IF 0.531), 2010, Vol.25 (7), pp.687DOAJ
摘要:...5NbO3(KNN) nanotube arrays were synthesized by Sol-Gel processing with anodic aluminum oxide templates, using Nb(OC2H5)5, CH3COOK and CH3COONa as the starting materials and 2-methoxyethanol (2-MOE) as so...

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