基本介紹
- 中文名：馮大誠
- 職業：教授
- 畢業院校：山東大學
- 代表作品：《結構化學》
學術簡介,主講課程,研究領域和興趣,主要論著,科研項目,科研成果,
學術簡介
1964-1970年在中國科學技術大學近代化學系學習，1978-1981年為山東大學物理化學專業研究生，師從著名理論化學家、中科院院士鄧從豪先生學習理論化學。1981年-今，山東大學理論化學研究所工作。
學術兼職：《結構化學》雜誌編委
主講課程
研究領域和興趣
馮大誠長期從事量子化學基礎理論、套用量子化學和計算化學以及分子反應動力學基礎理論和套用的研究，在國內外著名學術刊物上發表論文100餘篇。他長於量子化學計算工作，對化學反應過程和反應機理的計算尤感興趣，這也是他目前研究的主要方向。“活潑有機矽中間體的理論研究”、“酶催化的一碳單元轉移反應的機理和動力學研究”、“beta-內醯胺類化合物的酶催化水解反應機理的理論研究”等項目曾獲國家自然科學基金的資助。
主要論著
2．居冠之、馮大誠、鄧從豪，化學反應過渡態熵的計算和套用，化學學報，1985，43，680
3．居冠之、馮大誠：勢能面特徵與過渡態熵及A因子，化學學報，1986，44，623
4．Feng Dacheng,Ju Guanzhi：The stereograph for quasiclassical trajectory of chemical reaction,J. Mol. Sci. 1987,5,201
6．Ju Guanzhi,Feng Dacheng,Cai Zhengting,Deng Conghao,The Theoretical research on dynamics of H + O2 in low collisions energies,Sciectia Sinica,B 1987,XXⅪ，6,641
8．Ju Guanzhi,Feng Dacheng,Cai Zhengting,Deng Conghao,Dynamics of H + O2 collisions on an ab initio potential energy surface,Theor Chim Acta,1988,74,403
9．鄧從豪，馮大誠等: The effective Hamiltonian and electron cororelation energy,Chem.J.Chin.Univ. (Eng.edi.)1989,5,336
10. 馮大誠，居冠之，蔡政亭： Quasiclassical trajectory study on the H+O2 reaction Ⅱ，J.Mol.Sci.,1990,6,1
11. 居冠之，馮大誠，王澤新： 氣相離子-分子反應的研究，山東大學學報，1990,25,60
12 居冠之，蔡政亭，馮大誠： Testing of TST-CEQ molecular reaction Dynamic method in kinetic isotope effect for the system Cl+XY(X,Y=H,D,T) J.Mol.Sci.,1990,6,117
14. 鄧從豪，馮大誠：The Eigenvalues and eigenfunctions of helium atom,J.Mol.Sci.,1991,7,85
15 .蔡政亭，居冠之，馮大誠：An approximate 3-dimension quantum scattering theo-retical study of selected state reaction dynamics,Chin.Scie.Bull.1991,36,1702
18.蔡政亭，馮大誠，鄧從豪： H+BrCH3體系反應動力學的準經典研究，中國科學B,1992，⑼，911
19.蔡政亭，馮大誠，鄧從豪： Quasiclassical Trojactory study on H+BrCH3,Sci.Chin. 1993,36,550
20. 鄧從豪，張瑞勤，馮大誠： 超球坐標下原子-分子體系的變分計算，高等學校化學學報，1993,14,228
21. 鄧從豪，張瑞勤，馮大誠： Solution of atom and molecular Schrodinger equation described by hyper-spherical coordinates,Int.J.Quan Chem.,1993,45,385
22. 馮聖玉，馮大誠，鄧從豪： Theretical studies on the structures and reactivity of silylenoids Ⅲ，Chem.Phys.Lett.,1993,214,97
24. 鄧從豪，馮大誠，蔡政亭：Reactive Scattering of Linear Combination of Arreangment Channels,Sci.China B,1994,37,1025
27. 王沂軒，鄧從豪，馮大誠： Solution of the Schrodinger equation of lithium atom,Phys.Rev.,1995,51,73
28. 馮聖玉，馮大誠，鄧從豪： Structures of silylenoids and effects of metallic and halid atom on their stability,Chin.J.Chem,1995,13,19
30. 馮大誠，馮聖玉，鄧從豪： Isomeric structures,isomerizationand decomposition of silylenoids H2SiMX(MX=KF,KCl,LiBr,NaBr and KBr),Chin.J.Chem.,1995,13,481
31. 居冠之，王鎮，馮大誠： 固-氣吸附的過渡態理論計算，山東大學學報，1995,30,318
34. 馮聖玉，馮大誠，鄧從豪，環丙基矽烯C3H5SiH的重排及機理，化學學報，1997,55,747
35. 馮大誠，馮聖玉，鄧從豪，Effect of substituentts(NH2,OH,F) on structures and stability of lithofluorosilylenoids,Sci.Chin.1998,41,314
36. 馮大誠，馮聖玉，鄧從豪，取代基（NH2,OH,F）對鋰氟類矽烯構型及穩定性的影響，中國科學，1998,28,127
37. 馮大誠，馮聖玉，鄧從豪，烷基對取代鋰氟類矽烯R2SiLiF的構型和熱穩定性的影響，高等學校化學學報，1998,19,451-454(Effect of alkyl group on the structures and thermal stability of substituted lithofluro-silylenoids R2SiLiF,Chem. J. Chinese Univ.,(in Chinese),)
39. 傅愛萍，馮大誠，水在石墨（0001）面吸附的理論研究，山東大學學報，1998,33,187
43. 馮大誠，蔡政亭，鄧從豪，K + I2 = K+ + I2 - 離子對生成態-態幾率預選態截面的量子散射理論研究，化學學報，1998,56,956
45. 李吉海，馮大誠，馮聖玉，Ab initio study of first-row transition-metal with MCH+,MCH2+ and MCH3,Science in China(B),1999,42,284
479. 馮大誠，林啟君，馮聖玉，呂文彩，Theoretical studies on the structure and isomerization of the LiSiF3,Science in China (B),1999,42,419
50. 馬萬勇，馮大誠，蔡政亭，鄧從豪：氟原子與氫分子共線反應幾率的量子散射理論計算，化學學報，1999，57，578
51. Wan Yong MA,Da Cheng FENG,Zheng Ting CAI,CongHao DENG: The quantum scattering study for ion-pair formation reaction Na+I2=Na++I2- with the LCAC-SW method,Chinese Chem.Lett.,1999,10,325
54. 李吉海，馮大誠，馮聖玉，Ab initio study of the transition-metal carbene cations，Science in China（B）， 1999，42，83
58 Hai Quan Hu,Yong Jun Liu,Da Cheng Feng,Cheng Bu Liu,Ground STATE soins of Bicarbenes and Binitrenes,Coupled through Electron-Rich Rings,Chinese Chem. Lett.,1999,10,937-940
59.Zhang Dongju,Liang Fangzhen,FengDacheng and Liucgengbu,Ab initio study of the reorganization barrier for bent triatomic spacies,Chem. Phys. Lett.,2000,317,430-436
60. FENG Shengyu,Feng Dacheng,LI Jihai,An ab initio study on the insertion reaction of silylenoid H2SiLiF with H2,Chem.Phys.Lett.,2000,316,146-150
61. HU Hai Quan,ZHAO Xian,FENG Da Cheng,LIU Cheng Bu,Couping between Two NO Radicals Linked through Electron-Rich Rings,Chinese Chem.Lett. 2000,11,123-126
65.Zhang Dong-Ju,Zhuang Bing-You,FengDa-Cheng,Liu Cheng-Bu,Theoretical study of self-exchang election-transfer reaction for the M(H2O)62+/3+(M=V,Cr,Mn and Fe) system,Inter.J.Quantum Chem.,2000,78,32-41
67. Li Jihai,Sun Changjun,Liu Shaojie,Feng Shengyu,FengDacheng,Mechanism for the addition of carbenoid CH2ClLi to formaldehyde,Science in China(B),2000,43,240-245
69．林啟君，馮大誠，馬萬勇，卡賓與醚C-H鍵插入反應的理論研究Ⅱ 二氟卡賓、二氯卡賓與二甲迷的插入反應，高等學校化學學報，2000，21⑼，1427-1431
70．馮大誠，林啟君，馬萬勇，王煥傑，卡賓與醚C-H鍵插入反應的理論研究Ⅲ CX2（X=H,F,Cl）與甲乙醚的插入反應，高等學校化學學報，2000，21⑾，1708-1712
75. Feng Shengyu,Feng Dacheng,Theoretical studies on the structures and isomerization of silyenoid H2SiNaCl,J. Mol. Struc.(Theochem),2001,541,171-177
77. Shengyu Feng,Dacheng Feng,Meijiang Li,Yuxiang Bu,Theoretical studies on the structure and isomerization of methylenelithoflurosilylenoid H2CSiLiF,Chem.Phys.Lett.,2001,339,103-109
78. Feng Shengyu,Feng Dacheng,Theoretical studies of cyclopropysilylenes:the structure and stability of cyclopropysilylene C3H5SiH,Inter.J.Quantum Chem.,2001,85,92-99
80. 康從民，戚傳松，馮大誠，蔡政亭，咪唑啉鹽轉移一碳單元反應的量子化學研究，中國科學（B），2002，32，157-163
81. Kang Congmin,Qi Chunsong,,Feng Dachrng,Cai Zhengting,Quantum chemical study on the one-carbon unit transfer of imidazolinium,Science in China(B),2002,45,257-266
84. Kang Congmin,Qi Chunsong,,Feng Dachrng,Cai Zhengting,Theoretical study on the one-carbon unit transfer from imidazolinnium to 1,2-diaminobenzene,J. Mol. Struc.(Theochem),2002,235-245
85. Kang Congmin,Feng Dachrng,Qi Chunsong,,Cai Zhengting,Comparative study of folate cofactor models,Inter.J.Quantum Chem.,2002,87,152-157
86. Feng Shengyu,Feng Dacheng,,Li Meijiang,Zhou Yufang,Theoretical studies on the structure and isomerization of methylene lithium-chlorosilylenoid H2CSiLiCl,Inter.J.Quantum Chem. 2002,87,360-365
87. Feng Dacheng,,Kang Congmin,Qi Chuansong Cai Zhengting:An ab initio study of the potential energy surfaces for Na+I2 system,Chemical Physics Letters,2002,335,285-288.
89.FENG Shengyu,FENG Dachewng,LI Meijiang,ZHOU Yufang,Theoretical investigation on pentacoordinated silicon compounds of H2H3SiX(X=F,Cl,Br,I) with NH3,J.Mol. Struct.(THEOCHEM),2002,618,51-58
91. Chuansong Qi,Dacheng Feng,Huayang Wang,Zhengting Cai DFT study on one-unit transfer from 1,10-CH+tetrahydroquinoxaline to methylamine,Chin.Chem.lett. 2003,1,72-75
92. Qi Chuansong,Feng Dacheng,Kang Congmin,Cai Zhengting,One-carbon unit transfer quantum study of 1,10-CH+tetrahydroquinoxaline analog,Int.J.Quantum Chem.,2003,92,451-456
93．Sun xiaoming Ma Wanyong Cai Zhengting Feng Dacheng,Theoretical Studies on Formation Mechannism of Resonance States for Na+I2=Na++I2- System,Chem.Res. Chinese U. 2003,19⑷，481,483
94. He Maoxia,Zhu Feng,Feng Dacheng,Cai Zhengting,Quantum chemical study of alcoholysis mechanism of 1,2-thiazetidine 1,1-dioxide,Chem.Phys.Lett. 2003,377,13-19
95. Cai Zhengting,MaWanyong,Sunxiaomin,FengDacheng,Zhang Donghui,Theoretical study on the formation methanism of resonance states for the Na+ I2= Na++I2- system,J Chinese Chem Soc. 2003,50,703-706
98. Shengyu Feng,Yufang Zhou,Dacheng Feng,Addition reactions of silylenoids H2SiLiX(X=F,Cl) to acetylene,J.Phys.,Chem.A,2003,107,4116,4121
99.孫孝敏，馮大誠，蔡政亭Theoretical study on the ion-pair formation mechanism for the Li+I2= Li++I2- system，結構化學，（Chinese J Struct Chem）2004,23⑸，498,-501
100 He Maoxia,Zhu Feng,Feng Dacheng,Cai Zhengting,Quantum chemical study of alcoholysis mechanism of N-methyl-1,2-thiazetidine 1,1-dioxide,J. Mol. Struct.(THEOCHEM),2004,674,166-205
101 He Maoxia,Zhu Feng,Feng Dacheng,Cai Zhengting,The study of alcoholysis of 1-2-thiazetidind-1,1-dioxide with quantum chemical method， Chinese Chem. Lett.,2004,15⑹，745-748
102 Qiao Qing-An,Cai Zheng-Ting,Feng Da-Cheng,Quantum chemical study on a new mechanism of one-carbon unit transfer reaction,the water –assisted mechanism,Chinese J. Chem. 2004,22,505-507
103. Sun Xiaomin,Wang Manhui,Liu Peng,Bian Wensheng,Feng Dacheng and Cai Zhengtong,The density functional study on the 1,3-dipolar cycloaddition of carben-menthy nitrone with acrlonnitrile,J. Mol. Struc. (THEOCHEM),2004,679,73-87
105 Qiao Qing-An,Cai Zheng-Ting,Feng Da-Cheng,,Jiang Yuan Sheng,A quantum chemical study of the qater –assisted mechanism in one-carbon unit transfer reaction catalyzed by blycinamide ribonucleotide transformylase,Biophyc. Chem.,2004,110,259-266
106 Sun Xiao Min,Feng Da Cheng,Cai Zheng Ting,Theoretical study on the long-lived complexes for the Na+I2 collision system,Chinese Chem. Lett.,2004,15,6,749-752
108 Dacheng Feng,Ju Xie,Shengyu Feng,Theoretical study on the structures and isomerization of silylenoid [(tert-butoxy)diphenylsilyl]lithium,Chem. Phys. Lett. 2004,396,245-251
110. 喬青安，蔡政亭，馮大誠，葉酸輔酶參與的一碳單元轉移反應，化學進展，2004，16，785-790
111. Xiao-Min Sun,Da-Cheng Feng,Zheng-Ting Cai,Wensheng Bian,An ab initio study of the potential energy surfaces for the collision between a Cs atom and an I2 molecule,Can.J.Chem. 2004,82,1216-1222
112. Qi Chuansong,,Feng Dacheng,Cai Zhengting,Oniom study of one-carbon unit transfer from imidazoline to dump analogue,Int. J. Quantum Chem,2004,100,22-27
114. Qi Chuansong,,Feng Dacheng,Cai Zhengting,The study of one-carbon unit transfer from imidazoline to dump analogue with ONION Theory,Chinese Chem Lett,2004,15,123-126
115. Maoxia He,Dacheng Feng,Feng Zhu,and Zhengting Cai,Alcoholysis of N-Methyl-1,2-Thiazetidine-1,1-Dioxide: DFT Study of Water and Alcohol Effects,J. Phys. Chem. A 2004,108,7702-7708
116. Xiaomin Sun,Huayang Wang,Zhengting Cai,Dacheng Feng,Wensheng Bian,Partial potential energy surface and its applications in recative resonances,J Theor Compu Chem,2004,3,543-553
科研項目
1 “活潑有機矽中間體的理論研究”
3 “電子轉移反應的機理和動力學的理論研究”
4 “beta-內醯胺類化合物的酶催化水解反應機理的理論研究”
5 “類矽烯反應機理的理論研究”
科研成果
1.1986年國家教委科技進步二等獎：“量子化學基礎理論研究”
2.1988年國家教委科技進步二等獎：“分子反應動力學理論研究”
3.1991年國家教委科技進步二等獎：“量子化學和分子反應動力學的理論和套用”
4.1997年國家自然科學三等獎：“超球坐標和原子、分子Schrodinger方程的直接解”
5.1997年國家教委科技進步一等獎：“超球坐標和原子、分子Schrodinger方程的直接解”
6.2000年山東省科技進步三等獎：“量子反應散射理論方法及其套用研究”
7.2002年山東省科技進步三等獎：“活潑有機中間體的結構、穩定型與反應機理的理論研究”
