ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2006,Vol.22>> Issue(06)>> 653-656     doi: 10.1016/S1872-1508(06)60024-7         中文摘要
DFT Study on the Unsaturated Silylenoid H2C=SiNaF
LI Wen-Zuo;GONG Bao-An;CHENG Jian-Bo
Science and Engineering College of Chemistry and Biology, Yantai University, Yantai 264005, P. R. China; Key Laboratory for Supramolecular Structure and Materials of Ministry of Education, Jilin University, Changchun 130012, P. R. China
Full text: PDF (189KB) HTML Export: BibTeX | EndNote (RIS)
The unsaturated silylenoid H2C=SiNaF was studied by using the DFT B3LYP method in conjunction with the 6-31+G(d, p) basis set. Geometry optimization calculations indicate that H2C=SiNaF has four equilibrium configurations, in which the p-complex has the lowest energy and is the most stable structure. Three transition states for isomerization reactions of H2C=SiNaF are located and the energy barriers are calculated. For the most stable one, vibrational frequencies and infrared intensities have been predicted.

Keywords: Unsaturated silylenoid H2C=SiNaF   DFT   Isomerization  
Received: 2005-10-26 Accepted: 2005-12-16 Publication Date (Web): 2006-05-31
Corresponding Authors: LI Wen-Zuo Email:

Cite this article: LI Wen-Zuo;GONG Bao-An;CHENG Jian-Bo. DFT Study on the Unsaturated Silylenoid H2C=SiNaF[J]. Acta Phys. -Chim. Sin., 2006,22 (06): 653-656.    doi: 10.1016/S1872-1508(06)60024-7
1. CHEN Hua-Bin, ZHANG Xiao-Hui, GONG Li-Zhen, HE Jing, XU Xuan, XU Zhi-Guang, LIU Hai-Yang.Effect of β-Substituents on the Electronic Absorption Spectra of Manganese(V)-oxo Corrole Complexes[J]. Acta Phys. -Chim. Sin., 2016,32(8): 1983-1989
2. HU Hui-Ping, WANG Meng, DING Zhi-Ying, JI Guang-Fu.FT-IR, XPS and DFT Study of the Adsorption Mechanism of Sodium Salicylate onto Goethite or Hematite[J]. Acta Phys. -Chim. Sin., 2016,32(8): 2059-2068
3. YUAN Shu-Wei, LÜ Rong, YU An-Chi.Photoisomerization Kinetics of IR125 and HDITCP in Ionic Liquids with Different Cation Alkyl Chain Lengths[J]. Acta Phys. -Chim. Sin., 2014,30(5): 987-993
4. YU Hai-Ling, ZHANG Meng-Ying, HONG Bo, CHENG Zhi Qiang, WANG Jiao, TIAN Dong-Mei, QIU Yong-Qing.Nonlinear Optical Properties of Green Fluorescent Protein Chromophore Coupled Diradicals[J]. Acta Phys. -Chim. Sin., 2013,29(12): 2543-2550
5. XIE Hu-Jun, MOU Wang-Shu, LIN Fu-Rong, XU Jie-Hui, LEI Qun-Fang, FANG Wen-Jun.Radical Scavenging Activity of Myricetin[J]. Acta Phys. -Chim. Sin., 2013,29(07): 1421-1432
6. ZHANG Jin-Gui, QIAN Wei-Zhong, TANG Xiao-Ping, SHEN Kui, WANG Tong, HUANG Xiao-Fan, WEI Fei.Influence of Catalyst Acidity on Dealkylation, Isomerization and Alkylation in MTA Process[J]. Acta Phys. -Chim. Sin., 2013,29(06): 1281-1288
7. LI Ling-Ling, NIE Xiao-Wa, SONG Chun-Shan, GUO Xin-WenP.Isomerization Mechanismof Xylene Catalyzed by H-ZSM-5 Molecular Sieve[J]. Acta Phys. -Chim. Sin., 2013,29(04): 754-762
8. GUO Xiao-Nan, DU Rui, ZHAO Yan-Ying, PEI Ke-Mei, WANG Hui-Gang, ZHENG Xu-Ming.Dynamic Structures of 2-Thiopyrimidone and 2-Thiopyridone in B-Band Absorptions[J]. Acta Phys. -Chim. Sin., 2012,28(07): 1570-1578
9. SU Xiao-Ling, WANG Yue-Kui, WANG Yan, JIA Jie, GAO Xiao-Li.Theoretical Analysis of the ECD Spectra of SalenCo(III) Complexes Containing Axial Imidazole Ligands[J]. Acta Phys. -Chim. Sin., 2011,27(07): 1633-1639
10. ZHONG Ai-Guo, HUANG Ling, JIANG Hua-Jiang.Structure, Spectroscopy and Reactivity of H2S Bonding to Metal(II) Porphyrins[J]. Acta Phys. -Chim. Sin., 2011,27(04): 837-845
11. SONG Hua, DONG Peng-Fei, ZHANG Xu.Effect of Al Content on the n-Pentane Isomerization of the Solid Superacid Pt-SO2-4 /ZrO2-Al2O3[J]. Acta Phys. -Chim. Sin., 2010,26(08): 2229-2234
12. SHEN Qian, GAN Lin, LIU Song, CAO Yang, WANG Zhen-Xing, HUI Jing-Shu, GUO Xue-Feng.Reversible Photomodulation of Organic Transistor Performance by Conformation-Induced Capacitive Coupling[J]. Acta Phys. -Chim. Sin., 2010,26(07): 1941-1946
13. WU Jian, WANG Yu, HUANG Feng, YANG Yang, MENG Chang-Gong.Thermal Diffusion Synthesis and Characterization of SnO2 Clusters within ZSM-5 Crystals[J]. Acta Phys. -Chim. Sin., 2010,26(06): 1705-1710
14. CHEN Jingguang G, QI Sui-Tao, HUMBERT Michael P, MENNING Carl A, ZHU Yue-Xiang.Rational Design of Low-Temperature Hydrogenation Catalysts: Theoretical Predictions and Experimental Verification[J]. Acta Phys. -Chim. Sin., 2010,26(04): 869-876
15. WANG Luo-Xin, YI Chang-Hai, ZOU Han-Tao, XU Jie, XU Wei-Lin.cis-trans Isomerization of Azobenzene Confined inside an Armchair (8,8) Single-Walled Carbon Nanotube[J]. Acta Phys. -Chim. Sin., 2010,26(01): 149-154
16. ZHU Yue, PU Min, HE Jing, EVANS David G..Photoisomerization Mechanism of the Trans-cis Azobenzene Sulphonate Derivatives[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2296-2304
17. MOHAMED IMRAN P. K., SUBRAMANI K..Structure-Property Analysis of L-Ornithine and Its Substituted Analogues[J]. Acta Phys. -Chim. Sin., 2009,25(11): 2357-2365
18. PANG Xian-Yong, XING Bin, WANG Gui-Chang, YOSHITADA Morikawa, JUNJI Nakamura.Formate Adsorption on Cu(110), Ag(110) and Au(110) Surfaces[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1352-1356
19. HUANG Xiao-Xuan, XU Xuan.Ir-Hg Interactions and the Nature of Redox Reactions in Ir(CO)Cla(Ph2Ppy)2HgClb(HgCl2)c (a, b=1, 2|c=0, 1)[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1362-1366
20. ZHONG Ai-Guo, WU Jun-Yong, YAN Hua, JIN Yan-Xian, DAI Guo-Liang, JIANG Hua-Jiang, PAN Fu-You, LIU Shu-Bin.Structure, UV-Vis Spectroscopy and Reactivity Properties of MelamineMetal(II) Complexes[J]. Acta Phys. -Chim. Sin., 2009,25(07): 1367-1372
21. LI Wen-Zuo; CHENG Jian-Bo; LI Qing-Zhong; GONG Bao-An; SUN Jia-Zhong.Structures and Isomerization Reactions of the Germylenoid H2GeClMgCl in Solution[J]. Acta Phys. -Chim. Sin., 2009,25(01): 121-125
22. LIANG Yun-Xiao, SHANG Zhen-Feng, XU Xiu-Fang, ZHAO Xue-Zhuang.Regioselectivity of 1,3-Butadiene Diels-Alder Cycloaddition to C59XH(X=N, B)[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1811-1816
23. WANG Luo-Xin; TUO Xin-Lin; XU Jie; LI Song-Nian; WANG Xiao-Gong.Effect of Trans-Cis Isomerization on the Sensitivity of Energetic Azo-Compounds[J]. Acta Phys. -Chim. Sin., 2008,24(10): 1756-1760
24. LIU Hai-Yang; LI Li; YING Xiao; WANG Xiang-Li; XU Zhi-Guang; LIAO Shi-Jun; CHANG Chi-Kwong.DFT Calculations on Manganese(III)5,10,15-Tris(pentafluorophenyl)-Corrole[J]. Acta Phys. -Chim. Sin., 2008,24(09): 1602-1608
25. LV Cun-Qin; LING Kai-Cheng; SHANG Zhen-Feng; WANG Gui-Chang.Adsorption of Methyl, Amido and Methylamine Species on the Clean and C(N, O) Modified Mo(100) Surfaces[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1366-1370
26. TIAN Zhen-Ning; XU Xuan.Theoretical Study on the Isomers of [M(CO)3(PPh2py)2] (M=Fe, Ru) Complex[J]. Acta Phys. -Chim. Sin., 2008,24(08): 1482-1486
27. MAO Shuang; TAN Ying-Xiong; PU Xue-Mei; LI Lai-Cai; TIAN An-Min.Isomerization and Conformation Transformation of Triazane[J]. Acta Phys. -Chim. Sin., 2008,24(06): 981-986
28. AI Hong-Qi; YANG Ai-Bin; LI Yun-Gang.Theoretical Study on the Interactions between Zn2+ and Adenine Isomers in Aqueous Phase[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1047-1052
29. YUAN Xian-Rui; LIU Ying-Hua; LI Run-Yan; CHEN Xiao-Xia.Experimental and Theoretical NMR Study of (s)-Doxazosin[J]. Acta Phys. -Chim. Sin., 2008,24(06): 1058-1062
30. LI Wei; RONG Hua; WU Xin-Min; CHEN Zhong-Yuan.Microwave Synthesis, Characterization and Theoretical Study of para-Toluenesulfonic Acid Threonine Salt and Its Ester Derivatives[J]. Acta Phys. -Chim. Sin., 2008,24(05): 868-872
31. LI Wen-Zuo; CHENG Jian-Bo; GONG Bao-An; YU Jian-Kang; SUN Jia-Zhong.Structures and Isomerization Reactions of the Silylenoid H2SiClBeCl[J]. Acta Phys. -Chim. Sin., 2008,24(05): 901-904
32. LI Wen-Zuo; XIAO Cui-Ping; GONG Bao-An; CHENG Jian-Bo.Insertion Reactions of the Germylenoid H2C=GeLiCl with RH(R=F, OH, NH2)[J]. Acta Phys. -Chim. Sin., 2008,24(04): 720-724
33. ZGOU Hsaine; HAMIDI Mohamed; LERE-PORTE Jean-Pierre; SEREIN-SPIRAU Francoise; BOUACHRINE Mohammed.Structural and Electronic Properties of New Materials Based on Thiophene and Phenylene[J]. Acta Phys. -Chim. Sin., 2008,24(01): 37-40
34. DING Bing-Jing; HUANG Shi-Ping; WANG Wen-Chuan.Dimerization of Ethene Catalyzed by Acidic Zeolites[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1864-1868
35. LI Qin-Yu; XU Xuan.Fe—Hg Interactions and 31P Chemical Shifts in [Fe(CO)3(PPh2R)2(HgCl2)] (R=pym, fur, py, thi)[J]. Acta Phys. -Chim. Sin., 2007,23(12): 1875-1880
36. LI Wen-Zuo; TAN Hai-Na; XIAO Cui-Ping; GONG Bao-An; CHENG Jian-Bo.DFT Study on the Unsaturated Germylenoid H2C=GeLiCl[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1811-1814
37. REN Yun-Peng; LU Yu-Xiang; LOU Qi.Theoretical Study on the Behavior of CO Chemisorption on Low-index Platinum Surfaces[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1728-1732
38. ARSLAN Hakan; DEMIRCAN Aydin.Structure and Vibrational Spectra of Tert-butyl N-(2-bromocyclohex-2-enyl)-N-(2-furylmethyl)carbamate[J]. Acta Phys. -Chim. Sin., 2007,23(11): 1683-1690
39. ZHOU Jun-Hong; ZENG Yan-Li; ZHANG Xue-Ying; MENG Ling-Peng; ZHENG Shi-Jun.Reaction Mechanisms and Topological Studies of Electron Density for IClO2 Isomerization[J]. Acta Phys. -Chim. Sin., 2007,23(08): 1229-1234
40. PANG Xian-Yong; REN Rui-Peng; XUE Li-Qin; WANG Gui-Chang.The Stabilization of Adsorbed Carbon Dioxide by Formate on Cu(100) Surface[J]. Acta Phys. -Chim. Sin., 2007,23(07): 1109-1112
41. XU Guo-Liang; XIAO Xiao-Hong; LIU Yu-Fang; SUN Jin-Feng; ZHU Zheng-He.Molecular Structure and Electronic Spectrumfor Methyl Vinyl Siloxane under the External Electric Field[J]. Acta Phys. -Chim. Sin., 2007,23(05): 746-750
42. ZHANG Shu-Qiang;WANG Ya-Qiong;ZHENG Xu-Ming.Density Functional Theory Investigation of the Photoisomerization Reaction of Nitroalkanes and Nirroaromatic Compounds[J]. Acta Phys. -Chim. Sin., 2006,22(12): 1489-1494
43. TANG Ke;SONG Li-Juan;DUAN Lin-Hai;LI Xiu-Qi;GUI, Jian-Zhou;SUN Zhao-Lin.Deep Desulfurization by Selective Adsorption on Heteroatom Zeolite Prepared by Secondary Synthesis[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1116-1120
44. WANG Lian-Bin;WU Wen-Peng;ZHANG Jing-Lai;CAO Ze-Xing.Theoretical Study on the Electronic Spectra of cis-HOOOH and trans-HOOOH[J]. Acta Phys. -Chim. Sin., 2006,22(09): 1079-1084
45. LIANG Wan-Chun;LI Hao-Ran;HU Xing-Bang;HAN Shi-Jun.Density Functional Studies on Formamide′s Water-influenced Proton Transfer in Solution[J]. Acta Phys. -Chim. Sin., 2006,22(07): 797-803
46. QIU Yong-Qing;LIU Chun-Guang;CHEN Hui;SU Zhong-Min;YANG Guo-Chun;WANG Rong-Shun.DFT Study on Second-order Nonlinear Optical Properties of a Series of Three-dimensional Cobalt(II) Metal Complexes[J]. Acta Phys. -Chim. Sin., 2006,22(07): 836-839
47. ZHOU Dan-Hong;WANG Yu-Qing;HE Ning;YANG Gang.The π-complexation Mechanisms of Cu(I), Ag(I)/Zeolites for Desulfurization[J]. Acta Phys. -Chim. Sin., 2006,22(05): 542-547
48. LIU Mei-Tang; MU Bo-Zhong.Hysteresis Loops Predictions by Revised LDFT in Slits[J]. Acta Phys. -Chim. Sin., 2006,22(03): 355-358
49. HU Xing-bang; LI Hao-ran; LIANG Wan-chun; HAN Shi-jun.Explore the Effect Induced by Water in the Proton Transfer Process of 5-fluorouracil[J]. Acta Phys. -Chim. Sin., 2005,21(09): 952-956
50. HE Qin; ZHOU Li-xin.Theoretical Study on the Interaction of Platinum Compounds with DNA Base Pairs[J]. Acta Phys. -Chim. Sin., 2005,21(08): 846-851
51. LIU Jun-Na; CHEN Zhi-Rong; YUAN Shen-Feng.Prediction of Visible Absorption of Pyridone Azo Compounds[J]. Acta Phys. -Chim. Sin., 2005,21(04): 402-407
52. WU Wen-Juan;LAI Rong;ZHENG Kang-Cheng;YUN Feng-Cun.Quantitative Structure-Activity Relationship of Indolo[1,2-b]quinazoline Derivatives with Antitumor Activity[J]. Acta Phys. -Chim. Sin., 2005,21(01): 28-32
53. Zhang Jing-Lai;Wang Lian-Bin;Wu Wen-Peng; Cao Ze-Xing.Electronic Absorption Spectra of Linear Cluster SC2nS2-(n=1~12)[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1428-1433
54. Geng Zhi-Yuan;Wang Yong-Cheng;Wang Han-Qing.Quantum Chemistry Study on Cycloaddition Reaction of Germylene X2Ge (X=H, CH3, F, Cl, Br) and Ethylene[J]. Acta Phys. -Chim. Sin., 2004,20(12): 1417-1422
55. Ren Yan-Liang;Wan Jian;Liu Jun-Jun;Wan Hong-Wen.A Theoretical Comparison on Vertical Excited States of Free-Base Porphin[J]. Acta Phys. -Chim. Sin., 2004,20(09): 1089-1092
56. Liu Mei-Tang;Mu Bo-Zhong;Liu Hong-Lai;Hu Ying.Application of the Revised Lattice Density Functional Theory in Slits[J]. Acta Phys. -Chim. Sin., 2004,20(06): 668-672
57. Zhai Zhi-Cai;Bai Yun-Shan;Wang Zun-Yao;Wang Lian-Sheng.The Reaction Mechanism of Br2+2HI=2HBr+I2 by Density Functional Theory[J]. Acta Phys. -Chim. Sin., 2004,20(04): 400-404
58. Ning Bin;Fan Lou-Zhen;Zheng Li-Ping;Cao Yong;Guo Zhi-Xin.Electrochemical Properties of Methanofullerenes[J]. Acta Phys. -Chim. Sin., 2003,19(10): 917-921
59. Wu Hai-Shun;Xu Xiao-Hong;Ma Wen-Jin;Jia Jian-Feng.A Theoritical Study on the Mechanism of Interconversion of 2-amino-5-mercapto-1,3,4- thiadiazole Isomers[J]. Acta Phys. -Chim. Sin., 2003,19(05): 408-413
60. Li Yong-Hong;Chen Li-Ping;Xu Wen-Yuan;Hong San-Guo.Reaction Mechanism of the Gas-phase Elimination of 2-bromopropionic Acid[J]. Acta Phys. -Chim. Sin., 2003,19(05): 389-392
61. Zhang Yuan;Cao Ai-Nian;Sun Yue-Ming;Liu Ju-Zheng;Gu Fan.Theoretical Study on the Interaction of Two NO Molecules and Dimers with Cu2[J]. Acta Phys. -Chim. Sin., 2003,19(03): 193-197
62. Wang Zhe-Ming;Yan Zi-Feng.Skeletal Isomerization of Butene on Si, Zr-substituted Aluminum Phosphate Zeolites[J]. Acta Phys. -Chim. Sin., 2003,19(03): 216-220
63. Yu Hai-Tao;Chi Yu-Juan;Fu Hong-Gang;Li Ze-Sheng;Sun Jia-Zhong.The Stability of Phosphaalkynes R-C≡P (R=-BH2, -CH3,-NH2, -OH) and Their Isomers[J]. Acta Phys. -Chim. Sin., 2003,19(02): 125-129
64. Song Zheng-Lin;Zhang Fu-Shi;Chen Xi-Qiao;Zhao Fu-Qun.Calculation of Ground and Excited States of Free Base Phthalocyanine[J]. Acta Phys. -Chim. Sin., 2003,19(02): 130-133
65. Liu Yue;Liu Jia-Wen;Yang Xiao-Zhen.Cationic Reaction Mechanism for Ethylene Polymerization of New Nickel Catalysts[J]. Acta Phys. -Chim. Sin., 2002,18(12): 1068-1070
66. Tan Jin-Zhi;Xiao He-Ming;Gong Xue-Dong;Li Jin-Shan.Comparison of DFT with Ab initio Method on the Study of Intermolecular Interaction of (CH3ONO2)2[J]. Acta Phys. -Chim. Sin., 2002,18(04): 307-314
67. Wang Yong-Cheng;Geng Zhi-Yuan;Chen Hong-Shan.A Density Functional Method(DFT) Study on the Cyclic Reaction Kinetics[J]. Acta Phys. -Chim. Sin., 2002,18(01): 45-49
68. Yu Hai-Tao;Chi Yu-Juan;Fu Hong-Gang;Huang Xu-Ri;Sun Jia-Zhong.The Structures and Relative Stabilities of HBO2 Isomers[J]. Acta Phys. -Chim. Sin., 2002,18(01): 87-90
69. Li Quan;Wang Hong-Yan;Jiang Gang;Zhu Zheng-He.Structure and Potential Energy Function of PuX+(X=O,H,N,C)[J]. Acta Phys. -Chim. Sin., 2001,17(07): 622-625
70. Wu Hai-Shun;Xu Xiao-Hong;Zhang Cong-Jie;Jin Zhi-Hao.Structure and Thermodynamic Properties of (Cl2AlNH2)n and (H2AlNH2)n Clusters[J]. Acta Phys. -Chim. Sin., 2001,17(04): 324-328
71. Chen Hong-Shan;Niu Jian-Zhong;Zhang Bing;Li Shu-Ben.DFT Study on the Active Sites in Mn-Na2WO4/SiO2 Catalyst[J]. Acta Phys. -Chim. Sin., 2001,17(02): 111-115
72. Li Quan, Liu Xiao-Ya, Gao Tao, Zhu Zheng-He, Fu Yi-Bei, Wang Xiao-Lin, Sun Ying.Potentional Energy Function and Stability of PuOn+[J]. Acta Phys. -Chim. Sin., 2000,16(11): 987-991
73. Su Ke-He, Wei Jun, Hu Xiao-Ling, Yue Hong, Lv Ling, Wang Yu-Bin, Wen Zhen-Yi.Systematic Comparison of Geometry Optimization on Inorganic Molecules[J]. Acta Phys. -Chim. Sin., 2000,16(07): 643-651
74. Zhang Wen-Qin, Zhang Zhi-Ming, Zheng Yan, Wang Shu-Li, Zhao Shu-Na.Crystal Structure and Photochemical Properties of r-1,c-2,t-3,t-4-1,3-bis(4-biphenyl)-2,4-di(4-pyridyl)cyclobutane[J]. Acta Phys. -Chim. Sin., 2000,16(03): 207-213
75. Hu Hai-Quan.Mechanism of the Isomerization of Nitryl Hydride[J]. Acta Phys. -Chim. Sin., 1998,14(06): 544-547
76. Hu Hai-Quan, Liu Cheng-Bu.Mechanism of the Isomerization of Difluorosilacyclopropene[J]. Acta Phys. -Chim. Sin., 1998,14(04): 349-352
77. Xu Wen-Yuan,Hong San-Guo,Peng Yi-Yuan,Li Yong-Hong,Wang Sheng.Quantum Chemical Study on the Tautomeric Reaction of p -R-phenyltetrazoles[J]. Acta Phys. -Chim. Sin., 1997,13(12): 1115-1118
78. Ke Jie,Lu Jie,Zhong Ming-Hong,Zou Lei,Han Bu-Xing,Yan Hai-Ke.Effect of Ethanol on the Tautomerism of Ethyl Acetoacetate in Supercritical CO2[J]. Acta Phys. -Chim. Sin., 1997,13(04): 351-353
79. Li Ze-Min,Wu Shi-Kang.Study on Photophysical Behaviors of Styryl Pyrazine Derivatives[J]. Acta Phys. -Chim. Sin., 1996,12(05): 418-422
80. Wang Xue-Song,Zhang Bao-Wen,Cao Yi.A Mechanism Study of Sensitized Photoisomerization of Norbornadiene Derivatives[J]. Acta Phys. -Chim. Sin., 1996,12(05): 423-428
81. Liu Tian-Jun,Wu Shi-Kang.The Photoisomerization of Azobenzene for Regulating the Complex Behavior of Viologen with Eosin[J]. Acta Phys. -Chim. Sin., 1996,12(04): 329-336
82. Xu Zong-Rong,Tian Zhi-Yue.The Quantum Theory of Reactive Rate for Isomerization Photochemical Reaction[J]. Acta Phys. -Chim. Sin., 1995,11(08): 762-765
83. Gao Zi, Hua Wei-Ming, Chen Jian-Min, Tang Yi.Characterization of Solid Superacidity by Pentane Isomerization Reaction[J]. Acta Phys. -Chim. Sin., 1994,10(10): 897-902
84. Gao Zi, Chen Jian-Min, Tang Yi, Hua Wei-Ming.Characterization of Solid Superacidity by Butane Isomerization Reaction at Ambient Temperature[J]. Acta Phys. -Chim. Sin., 1994,10(08): 698-703
85. Yan Zheng-Lin, Wu Shi-Kang.The Photophysical Behavior of 2-Pyrazoline with Azastilbene[J]. Acta Phys. -Chim. Sin., 1994,10(07): 610-615
86. Tang Yi, Lu Lu, Gao Zi.Studies on the Control of the Pore-opening Size of HM Zeolite and its Para-selectivity[J]. Acta Phys. -Chim. Sin., 1994,10(06): 514-520
87. Yang Jie, Liang Guo-Ming, Tian An-Min, Yan Guo-Sen.LMO Study on the Reaction: H3PO→H2POH[J]. Acta Phys. -Chim. Sin., 1994,10(04): 367-370
88. Sun Hong-Zhe; Li Cun; Yao Yi-Ming; Fang Qi; You Xiao-Ceng.NMR Studies of the Isomer Conversion of Formanilide[J]. Acta Phys. -Chim. Sin., 1993,9(01): 117-120
89. Ma Si-Yu; Feng Wen-Lin.Theoretical Study on the Tautomeric Reaction of Acetaldehyde Into Vinyl Alcohol and Ketene Into Ethynol[J]. Acta Phys. -Chim. Sin., 1992,8(05): 654-658
90. ZHAO Zong-Yan, TIAN Fan.Theoretical Study on Interfacial Structure and Properties of CdS/FeP Composite Photocatalyst[J]. Acta Phys. -Chim. Sin., 0,(): 0-0
Copyright © 2006-2016 Editorial office of Acta Physico-Chimica Sinica
Address: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R.China
Service Tel: +8610-62751724 Fax: +8610-62756388
^ Top