Relationship between Molecular Structure and Boiling Point of Aliphatic Unsaturated Hydrocarbons分子图顶点度-距离指数(VDI)边度-距离指数(EDI)奇偶指数(OEI)不饱和链烃沸点(np)在分子图的基本结构要素的基础上,提出了三个新的拓扑指数:顶点度-距离指数(VDI),边度-距离指数(EDI)和奇偶指数(OEI),并用这些指数...
Boduszynski equation can accurately calculate boiling points for hydrocarbons species identified by FT-ICR MS. Modified equations can represent individual classes with known chemical functionality. The magnitude of the deviation can be used as a semi-quantitative reference for different heteroatom classes....
Sentence Structure and Information Structure:句子结构和信息结构 热度: 第八章分子结构与晶体结构(1) 序言 一、化学键 1离子键(本质、特征、强弱、离子半径) 2共价键(本质、特征、强弱、共价半径) 3分子构型(价电子对互斥理论) 4杂化轨道理论 5分子轨道理论 ...
The structure shows 26-fold rotational symmetry and intricate intersubunit interactions of each subunit with up to six partners, which explains the structural stability. The inner surface is charged both positively and negatively. Positive charges on the P ring (the part of the LP ring that is ...
3 The table shows some properties of five esters.relative name structure molecular melting point boiling point I°C/°C mass methyl methanoate HCOOCH360-10032methyl ethanoate CH3COOCH374-9857methyl propanoate CH3CH2COOCH388-8880methyl butanoate H2102-95102methyl pentanoate CH_3CH_2CH_2CH_2COOCH...
,Stansfeld,and,... - 《Structure》 被引量: 177发表: 2011年 Effects of carbon nanoparticles on lipid membranes: a molecular simulation perspective We review recent simulation studies of carbon nanoparticles interacting with lipid membranes. We first consider the state-of-the-art methodology ...
1. Low operating temperature (much lower than the boiling point), high vacuum degree (no load ≤1Pa), short heating time (in seconds), high separation efficiency, etc., especially suitable for the separation of high boiling point, heat-sensitive, and easily oxidized substances; ...
The discovery of synthetic zeolites1,2,3, metal-organic frameworks (MOFs)4,5,6, and other custom-designed porous materials7,8,9,10,11 opens the door to the successful adsorptive separation of chemical mixtures, depending on molecular structure rather than boiling points12,13,14,15,16,17. Re...
Molecular-Level Modeling and Simulation in Process Safety ArnabChakrabarty, ...TahirCagin, inMultiscale Modeling for Process Safety Applications, 2016 3.1.2.3Molecular descriptors The optimizedmolecular structureobtained in the above step is used as an input to determine molecular descriptor. To generate...
ChemInform Abstract: Molecular Polarizability. Part 2. Relationship to the Boiling Point of Alkanes and Alcohols.computers in chemistry, computer programsChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a...