The molecular structure and gas formation enthalpy calculation of RDX 喜欢 0 阅读量: 105 作者:赵晓平,刘建,孙杰 摘要: RDX是环三甲撑三硝胺的简称,又名黑索金.是军民领域常用的高能炸药.生成焓是炸药的基本热力学性质,是其含能高低的标志,从理论上计算分子结构并预测其生成焓对含能材料的分子设计和品优炸药...
Hargittai, “The importance of small structural differences” in Molecular Structure and Energetics, Vol. 2, Chapter 1, J. F. Liebman, A. Greenberg, eds., VCH Publishers, Deerfield Beach, FL, 1986, pp. 1–35; M. Hargittai, I. Hargittai, “Gas-solid molecular structure differences.” ...
The molecular structure of CH 3C CSiH 3 in the gas phase has been investigated using electron diffraction. Mean amplitudes of vibration and perpendicular amplitude correction factors calculated from spectroscopic data enabled refinements of both r a and r α o structures to be carried out, allowing...
The molecular structure of cis -dichloro-bis(trimethylphosphine)platinum has been determined by electron diffraction in the gas phase and by single crystal X-ray diffraction. The crystals of cis -PdCl 2 [P(CH 3 ) 3 ] 2 are monoclinic, space group P 2 1 with a = 6.350(4), b = 11.8...
Gastric cancer is a leading cause of cancer deaths, but analysis of its molecular and clinical characteristics has been complicated by histological and aetiological heterogeneity. Here we describe a comprehensive molecular evaluation of 295 primary gastr
Themolecularbiology would provide tool to understand the mechanism of quality variation. 加深小麦品质变异分子机理的研究将有助于培育品质稳定的品种,提高对品质稳定性的控制能力. 期刊摘选 The resistivity , supermolecularstructure, thermal behavior and physicomechanical properties of conductive polyaniline fiber ar...
b Structure of 5, the open-chain model of catenand 4. c Structure of catenand 6 obtained by Grubbs metathesis. Full size image Not being constricted to a particular geometry, the mechanical bond imparts the ligand enough flexibility to efficiently coordinate several cations in a 1:1 molar ...
The ideal gas enthalpy of formation (HFOR) plays a key role in energy balance calculations and the investigation of bond energies, resonance energies and the nature of chemical bonds. Development of accurate structure-based estimation methods for HFOR of a large variety of chemical species can en...
NMR spectroscopy can provide the information on the kinetics of nucleation, being, however, intrinsically blind to the induction period due to the low resolution and signal broadening. In contrast, high-resolution mass spectrometry is ideal for the direct establishing the structure of soluble building...