H-BOND相关论文
Theoretical calculations are performed to study the nature of the hydrogen bonds in complexes HCHO···HNO,......
FTIR STUDIES ON THE MODEL POLYURETHANE HARD SEGMENTS BASED ON A NEW WATERBORNE CHAIN EXTENDER DIMETH
Three model polyurethane hard segments based on dimethylol butanoic acid (DMBA) and 1,6-hexane diisocyanate (HDI), tolue......
A novel AH-D-A-type phase junction material to improve photovoltaic performance and device stability
In order to boost power conversion efficiency (PCE) and operation stability of organic solar cells (OSCs), we propose a ......
采用密度泛函理论在B3LYP/6-311+G(d,p)水平上对1-乙基-3-甲基咪唑阳离子和半胱氨酸阴离子形成的气态阴阳离子对([Emim][Cys])进行......
为探索3,4-二硝基吡唑高能熔铸炸药中分子…阳离子和阳离子…σ相互作用之间的关系,本论文借助M062X方法,在6-311++G(2d,p)基组水......
Theoretical Studies on Electronic Spectrum Property of 2-(2-Hydroxyphenyl) pyridine Via Time-depende
本文通过对荣华二采区10...
Novel four-hydrogen-bond assembled oligoamide dimer with pyrazoline moieties and its photoluminescen
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
FTIR STUDIES ON THE MODEL POLYURETHANE HARD SEGMENTS BASED ON A NEW WATERBORNE CHAIN EXTENDER DIMETH
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
Theoretical Studies on Electronic Spectrum Property of 2-(2-Hydroxyphenyl) pyridine Via Time-depende
The geometrical structures of 2-(2-hydroxyphenyl) pyridine(PP) and its protonation states were optimized by means of the......
In the present paper are reported the OH…O out-of-plane bending band[γ(OH)] between 900-950 cm-1 of dimethylol propion......
Design and Synthesis of a Highly Stable Six-hydrogen-bonded Self-assembly Yellowish Green Electrolum
This paper describes the design, synthesis and characterization of a hydrogen-bonded molecular duplex with 1,8-naphthali......
本文作者使用了Counterpoise（CP）校正方法，在MP2／aug-cc-pVDZ水平，计算得到了实频的C2H4-HF和g-C2H2X2-HF（X=F，C1）的优化结构。由于X原子的......
采用多种手段研究了聚硅氧烷与聚脲嵌段共聚物中所存在的各类氢键。特别探讨在聚硅氧烷软段中引入极性氰丙基对体系成氢键能力的影......
在这篇论文， triarylpyrazoline 的合成和描述修改了 four-H-bonded 分子双被描述。它的分子的结构被 <sup>1</sup 证实了 > H NMR ......
采用水热合成法得到了新颖结构的配位超分子[Cu（phen）（H2O）2.SO4]。通过X射线单晶衍射、红外光谱（IR）、紫外光谱（UV-VIS-NIR）及荧光光谱进......
以二苯基甲烷-4，4′-二异氰酸酯（MDI）、二环己基甲烷二异氰酸酯（HMDI）和扩链剂乙二胺（EDA）和2，4-二氨基-3，5-二甲硫基氯苯（DDSCB，商品名TX-2）以......
采用水热法合成了新配合物二2-（2′-吡啶基）苯并咪唑-水合锌（Ⅱ）配位聚合物{[zn（L）2·H2O]}n（1），[L=2-（2′-吡啶基）苯并咪唑]，用元素分析、......
利用太赫兹透射光谱测量了液态乙醇和液态水以及不同浓度乙醇水溶液在22℃的介电常数.并利用Levenberg-Marquardt算法拟合得到了它......
Hydrogen bonds of interfacial water in human breast cancer tissue compared to lipid and DNA interfac
The paper presents the results for water confined in a human breast cancerous tissue, a single stranded DNA, a double st......
In the present paper are reported the OH…O out-of-plane bending band[γ(OH)] between 900—950cm^-1 of dimethylol propio......
