Citation: Guanghui Chen, Wangqiang Lin, Kun Jiang. Application of Computational Simulation in the Teaching Practice of Chemical Thermodynamics and Dynamics: Taking Isomerization and Dissociation of Formaldehyde as an Example[J]. University Chemistry, 2020, 35(12): 143-149. doi: 10.3866/PKU.DXHX201911052
计算模拟在化学热力学、动力学教学实践中的应用——以甲醛解离反应为例
English
Application of Computational Simulation in the Teaching Practice of Chemical Thermodynamics and Dynamics: Taking Isomerization and Dissociation of Formaldehyde as an Example
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[1] 傅献彩, 沈文霞, 姚天扬, 侯文华. 物理化学(下册). 第5版. 北京:高等教育出版社, 2006:154-156.
-
[2] 宋天佑, 程鹏, 王杏乔, 徐家宁. 无机化学(上册). 第2版. 北京:高等教育出版社, 2009:31.
-
[3] Robert, G.; Parr, S. R.; Gadre, L. J. Proc. Nati. Acad. Sci. USA 1979, 76 (6), 2522.
-
[4] 陈鑫, 李彪, 姚军. 大学化学, 2016, 31 (6), 80.
-
[5] 周丹娜, 袁亚男, 杨少杰. 大学化学, 2016, 31 (9), 91.
-
[6] 张恒, 汪存信. 大学化学, 2010, 25 (4), 47.
-
[7] 李佳成, 刘桂芝, 张凤. 无机化学. 哈尔滨:哈尔滨地图出版社, 2009:19.
-
[8] 韩克利, 孙本繁. 势能面与分子碰撞理论. 长春:吉林大学出版社, 2009:20-23.
-
[9] 罗渝然. 化学通报, 1983, No. 10, 8.
-
[10] Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; et al. Gaussian 16, Revision A.03. Gaussian:Wallingford, CT, USA, 2016.
-
[11] Becke, A. D. J. Chem. Phys. 1993, 98 (2), 1372.
-
[12] Geerlings, P.; Proft, F. D.; Langenaeker, W. Chem. Rev. 2003, 103 (5), 1793.
-
[13] Zhao, Y. Theor. Chem. Acc. 2008, 119 (5), 525.
-
[14] Pipek, J.; Mezey, P. G. J. Chem. Phys. 1989, 90 (9), 4916.
-
[15] Canneaux, S.; Bohr, F.; Henon, E. J. Comput. Chem. 2014, 35 (1), 82.
-
[16] 侯文华. 大学化学, 2007, 22 (3), 28.
-
[17] Branko, S. J. J. Mol. Struc.-Theochem. 1997, 418, 11.
-
[18] James, B. F.; AEleen, F. Exploring Chemistry with Electronic Structure Methods, 3rd ed.; Wallingford:CT, USA, 2015; pp. 256-258.
-
[19] 靳福全. 大学化学, 2013, 28 (2), 77.
-
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