Combination of Experimental and Computational Approaches: Recent Developments in Catalytic Organic and Bioorganic Reactions

作者: Tayebeh Hosseinnejad , Majid M. Heravi

DOI: 10.2174/138527282313190920163228

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参考文章(12)
Elaine Limé, Michelle D. Lundholm, Aaron Forbes, Olaf Wiest, Paul Helquist, Per-Ola Norrby, Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation. Journal of Chemical Theory and Computation. ,vol. 10, pp. 2427- 2435 ,(2014) , 10.1021/CT500178W
Avelino Corma, Hermenegildo Garcia, Supported gold nanoparticles as catalysts for organic reactions Chemical Society Reviews. ,vol. 37, pp. 2096- 2126 ,(2008) , 10.1039/B707314N
Gloria Mazzone, Nino Russo, Emilia Sicilia, Gold(I)-Catalyzed Hydration of 1,2-Diphenylacetylene: Computational Insights. Journal of Chemical Theory and Computation. ,vol. 6, pp. 2782- 2789 ,(2010) , 10.1021/CT100254V
Rong-Xiu Zhu, Dong-Ju Zhang, Jin-Xin Guo, Jing-Lin Mu, Chong-Gang Duan, Cheng-Bu Liu, Mechanism Study of the Gold-Catalyzed Cycloisomerization of α-Aminoallenes: Oxidation State of Active Species and Influence of Counterion Journal of Physical Chemistry A. ,vol. 114, pp. 4689- 4696 ,(2010) , 10.1021/JP100291C
Razieh Mirsafaei, Majid M. Heravi, Shervin Ahmadi, Mohammad Hossein Moslemin, Tayebeh Hosseinnejad, In situ prepared copper nanoparticles on modified KIT-5 as an efficient recyclable catalyst and its applications in click reactions in water Journal of Molecular Catalysis A-chemical. ,vol. 402, pp. 100- 108 ,(2015) , 10.1016/J.MOLCATA.2015.03.006
Lawrence M. Pratt, Stewart Voit, Fabian N. Okeke, Nobuaki Kambe, Nickel-catalyzed alkyl coupling reactions: evaluation of computational methods. Journal of Physical Chemistry A. ,vol. 115, pp. 2281- 2290 ,(2011) , 10.1021/JP1077196
Tayebeh Hosseinnejad, Fatemeh Ebrahimpour-Malmir, Bahareh Fattahi, Correction: Computational investigations of click-derived 1,2,3-triazoles as keystone ligands for complexation with transition metals: a review RSC Advances. ,vol. 9, pp. 739- 739 ,(2018) , 10.1039/C8RA90107D
Zheng Chen, He Wang, Neil Qiang Su, Sai Duan, Tonghao Shen, Xin Xu, Beyond Mean-Field Microkinetics: Toward Accurate and Efficient Theoretical Modeling in Heterogeneous Catalysis ACS Catalysis. ,vol. 8, pp. 5816- 5826 ,(2018) , 10.1021/ACSCATAL.8B00943