Bond dissociation enthalpies of cyclic lignols: Density functional calculations

被引：0
|
作者：
Elder, Thomas [1 ]
机构：
[1] US Forest Serv, Southern Res Stn, USDA, Pineville, LA 71360 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 247卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
157-CELL
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Accurate calculations of bond dissociation enthalpies with density functional methods
    Yao, XQ
    Hou, XJ
    Jiao, HJ
    Xiang, HW
    Li, YW
    JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (46): : 9991 - 9996
  • [2] Density Functional Theory Calculations on Ni-Ligand Bond Dissociation Enthalpies
    Wang, Bing
    Fu, Yao
    Yu, Hai-zhu
    Shi, Jing
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 27 (06) : 640 - 646
  • [3] Benchmark Calculations for Bond Dissociation Enthalpies of Unsaturated Methyl Esters and the Bond Dissociation Enthalpies of Methyl Linolenate
    Li, Xiaoyu
    Xu, Xuefei
    You, Xiaoqing
    Truhlar, Donald G.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (23): : 4025 - 4036
  • [4] Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation
    Brothers, Edward N.
    Bengali, Ashfaq A.
    Scalmani, Giovanni
    Janesko, Benjamin G.
    Verma, Pragya
    Truhlar, Donald G.
    Frisch, Michael J.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2023, 127 (46): : 9695 - 9704
  • [5] Density functional theory study on homolytic bond dissociation enthalpies of carbon-fluorine bond
    Wang Hua-Jing
    Fu Yao
    Liu Lei
    Guo Qing-Xiang
    ACTA CHIMICA SINICA, 2007, 65 (18) : 2039 - 2045
  • [6] Density Functional Theory Study on N-O Bond Dissociation Enthalpies
    Zheng Wen-Rui
    Xu Jing-Li
    Xiong Rui
    ACTA PHYSICO-CHIMICA SINICA, 2010, 26 (09) : 2535 - 2542
  • [7] Density functional calculations of enthalpies of hydrogenation, isomerization, and formation of small cyclic hydrocarbons
    Pan, JW
    Rogers, DW
    McLafferty, FJ
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 468 (1-2): : 59 - 66
  • [8] C-H bond dissociation enthalpies of hydrocarbons by density functional theory studies
    Zheng, Wen-Rui
    Fu, Yao
    Wang, Hua-Jing
    Guo, Qing-Xiang
    CHINESE JOURNAL OF ORGANIC CHEMISTRY, 2008, 28 (03) : 459 - 466
  • [9] Density functional theory study on bond dissociation enthalpies for lignin dimer model compounds
    Huang, Jinbao
    Liu, Chao
    Jin, Qiujing
    Tong, Hong
    Li, Weimin
    Wu, Dan
    JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY, 2014, 6 (03)
  • [10] Accurate Prediction of Ir-H Bond Dissociation Enthalpies by Density Functional Theory Methods
    Zhou, Yi
    Liu, Dingjia
    Fu, Yao
    Yu, Haizhu
    Shi, Jing
    CHINESE JOURNAL OF CHEMISTRY, 2014, 32 (03) : 269 - 275
12345