Regioselective Catalysis by the {Mo132} Nanocapsule: A Computational Inspection
作者： Nuno A. G. Bandeira , Carles Bo
关键词: Regioselectivity 、 Chemistry 、 Molybdenum 、 Catalysis 、 Combinatorial chemistry 、 Nanoreactor
摘要:
sci-hub.se 参考文章(36)
Craig L. Hill, Christina M. Prosser-McCartha, Homogeneous catalysis by transition metal oxygen anion clusters Coordination Chemistry Reviews. ,vol. 143, pp. 407- 455 ,(1995) , 10.1016/0010-8545(95)01141-B
B. Scott Jaynes, Craig L. Hill, Radical Carbonylation of Alkanes via Polyoxotungstate Photocatalysis Journal of the American Chemical Society. ,vol. 117, pp. 4704- 4705 ,(1995) , 10.1021/JA00121A028
M. Álvarez-Moreno, C. de Graaf, N. López, F. Maseras, J. M. Poblet, C. Bo, Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform Journal of Chemical Information and Modeling. ,vol. 55, pp. 95- 103 ,(2015) , 10.1021/CI500593J
A. Klamt, G. Schüürmann, COSMO : a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient Journal of The Chemical Society-perkin Transactions 1. pp. 799- 805 ,(1993) , 10.1039/P29930000799
Moritz von Hopffgarten, Gernot Frenking, Energy decomposition analysis Wiley Interdisciplinary Reviews: Computational Molecular Science. ,vol. 2, pp. 43- 62 ,(2012) , 10.1002/WCMS.71
Ayala Ziv, Alina Grego, Sivil Kopilevich, Leila Zeiri, Pere Miro, Carles Bo, Achim Müller, Ira A. Weinstock, Flexible pores of a metal oxide-based capsule permit entry of comparatively larger organic guests. Journal of the American Chemical Society. ,vol. 131, pp. 6380- 6382 ,(2009) , 10.1021/JA900452D
Michael T. Pope, Achim Müller, Chemie der Polyoxometallate: Aktuelle Variationen über ein altes Thema mit interdisziplinären Bezügen Angewandte Chemie. ,vol. 103, pp. 56- 70 ,(1991) , 10.1002/ANGE.19911030107
A. D. Becke, Density-functional exchange-energy approximation with correct asymptotic behavior. Physical Review A. ,vol. 38, pp. 3098- 3100 ,(1988) , 10.1103/PHYSREVA.38.3098
E Van Lenthe, R Van Leeuwen, EJ Baerends, JG Snijders, Relativistic regular two‐component Hamiltonians Journal of Chemical Physics. ,vol. 99, pp. 4597- 4610 ,(1993) , 10.1063/1.466059
Michael T. Pope, Achim Müller, Polyoxometalate Chemistry: An Old Field with New Dimensions in Several Disciplines Angewandte Chemie International Edition in English. ,vol. 30, pp. 34- 48 ,(1991) , 10.1002/ANIE.199100341