Literature DB >> 15941226

Theoretical methods of potential use for studies of inorganic reaction mechanisms.

Tom Ziegler1, Jochen Autschbach.   

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Year:  2005        PMID: 15941226     DOI: 10.1021/cr0307188

Source DB:  PubMed          Journal:  Chem Rev        ISSN: 0009-2665            Impact factor:   60.622


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  11 in total

1.  Unsaturated trinuclear iron fluoroborylene complexes.

Authors:  Liancai Xu; Qian-Shu Li; R Bruce King
Journal:  J Mol Model       Date:  2017-03-17       Impact factor: 1.810

2.  Are formal oxidation states above one viable in cyclopentadienylcopper cyanides?

Authors:  Congzhi Wang; Xiuhui Zhang; Qian-shu Li; Yaoming Xie; R Bruce King; Henry F Schaefer
Journal:  J Mol Model       Date:  2011-10-12       Impact factor: 1.810

3.  Binuclear rhenium carbonyl nitrosyls related to dicobalt octacarbonyl and their decarbonylation products.

Authors:  Bing Xu; Qian-Shu Li; Yaoming Xie; R Bruce King
Journal:  J Mol Model       Date:  2016-06-16       Impact factor: 1.810

4.  Bis(heptalene) "submarine" metal dimer sandwich compounds (C12H10)2M2 (M = Ti, V, Cr, Mn, Fe, Co, Ni).

Authors:  Huidong Li; Hao Feng; Weiguo Sun; Qunchao Fan; Yaoming Xie; R Bruce King; Henry F Schaefer
Journal:  J Mol Model       Date:  2012-08-14       Impact factor: 1.810

5.  Theoretical description of bonding in cis-W(CO)(4)(piperidine)(2) and its dimer.

Authors:  Mariusz P Mitoraj; Artur Michalak
Journal:  J Mol Model       Date:  2009-07-15       Impact factor: 1.810

6.  Carbon-hydrogen bond activation in bridging cyclobutadiene ligands in unsaturated binuclear vanadium carbonyl derivatives.

Authors:  Chongyao Song; Qifa Liu; Wenqian Chen; Xiaohong Chen; Rong Jin; Quan Du; Yaoming Xie; R Bruce King
Journal:  J Mol Model       Date:  2022-01-20       Impact factor: 1.810

7.  Accurate ab Initio Spin Densities.

Authors:  Katharina Boguslawski; Konrad H Marti; Ors Legeza; Markus Reiher
Journal:  J Chem Theory Comput       Date:  2012-04-26       Impact factor: 6.006

Review 8.  Multi-scale computational enzymology: enhancing our understanding of enzymatic catalysis.

Authors:  Rami Gherib; Hisham M Dokainish; James W Gauld
Journal:  Int J Mol Sci       Date:  2013-12-31       Impact factor: 5.923

9.  Organic linkers control the thermosensitivity of the emission intensities from Tb(iii) and Eu(iii) in a chameleon polymer.

Authors:  Miho Hatanaka; Yuichi Hirai; Yuichi Kitagawa; Takayuki Nakanishi; Yasuchika Hasegawa; Keiji Morokuma
Journal:  Chem Sci       Date:  2016-08-25       Impact factor: 9.825

10.  Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands.

Authors:  Florian Hering; Jörn Nitsch; Ursula Paul; Andreas Steffen; F Matthias Bickelhaupt; Udo Radius
Journal:  Chem Sci       Date:  2014-12-03       Impact factor: 9.825

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