ExLibris header image
SFX Logo
Title: Toward Molecular Catalysts by Computer
Source:

Accounts of Chemical Research [0001-4842] yr:2015


Collapse list of basic services Basic
Full text
Full text available via American Chemical Society Journals
GO
Document delivery
Request document via Library/Bibliothek GO
Users interested in this article also expressed an interest in the following:
1. Liu, Y. "Capture of Reactive Monophosphine-Ligated Palladium(0) Intermediates by Mass Spectrometry." Journal of the American Chemical Society 137.44 (2015): 14035-14038. Link to Full Text for this item Link to SFX for this item
2. Berben, Louise A. A. "Catalysis by aluminum(III) complexes of non-innocent ligands." Chemistry - A European Journal 21.7 (2015): 2734-2742. Link to Full Text for this item Link to SFX for this item
3. Ruscic, B. "Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values." Theoretical Chemistry accounts 133.1 (2014): 1-. Link to SFX for this item
4. Purwanto, W. "Eliminating spin contamination in auxiliary-field quantum Monte Carlo: Realistic potential energy curve of F[sub 2]." The Journal of chemical physics 128.11 (2008): 114309-. Link to Full Text for this item Link to SFX for this item
5. Cleland, D. "Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study." Journal of chemical theory and computation 8.11 (2012): 4138-4152. Link to Full Text for this item Link to SFX for this item
6. Cohen, A. "Challenges for Density Functional Theory." Chemical reviews 112.1 (2012): 289-320. Link to Full Text for this item Link to SFX for this item
7. Lin, S. "Nickel hydrides supported by a non-innocent diphosphine arene pincer: mechanistic studies of nickel-arene H-migration and partial arene hydrogenation." Journal of the American Chemical Society 133.11 (2011): 3828-31. Link to Full Text for this item Link to SFX for this item
8. Shekhar, S. "Oxidative addition of phenyl bromide to Pd(BINAP) vs Pd(BINAP)(amine). Evidence for addition to Pd(BINAP)." Organic letters 8.5 (2006): 851-854. Link to Full Text for this item Link to SFX for this item
9. Blagojevic, V. "Nitric oxide as an electron donor, an atom donor, an atom acceptor, and a ligand in reactions with atomic transition-metal and main-group cations in the gas phase." The journal of physical chemistry. A 109.49 (2005): 11224-11235. Link to Full Text for this item Link to SFX for this item
10. Tajti, A. "HEAT: High accuracy extrapolated ab initio thermochemistry." The Journal of chemical physics 121.23 (2004): 11599-11613. Link to Full Text for this item Link to SFX for this item
11. Kaduk, B. "Constrained Density Functional Theory." Chemical reviews 112.1 (2012): 321-70. Link to Full Text for this item Link to SFX for this item
12. Voislav Blagojevic. "Gas-Phase Reduction of Oxides of Nitrogen with CO Catalyzed by Atomic Transition-Metal Cations ( Support for this research by the Natural Sciences and Engineering Research Council of Canada is greatly appreciated. Also, we acknowledge support from the..." Angewandte Chemie 115.40 (2003): 5073-. Link to Full Text for this item Link to SFX for this item
13. Blechle, Joshua M. "Effect of ion energies on the surface interactions of NO formed in nitrogen oxide plasma systems." The journal of physical chemistry. A 117.6 (2013): 1204-15. Link to Full Text for this item Link to SFX for this item
14. Schwerdtfeger, C. "Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculations." The Journal of chemical physics 137.24 (2012): 244103-. Link to Full Text for this item Link to SFX for this item
15. Daday, C. "Full Configuration Interaction Excitations of Ethene and Butadiene: Resolution of an Ancient Question." Journal of chemical theory and computation 8.11 (2012): 4441-4451. Link to Full Text for this item Link to SFX for this item
16. Palmieri, P. "On the importance of orbital localization in QC-DMRG calculations." International journal of quantum chemistry 112.6 (2011): 1606-1619. Link to Full Text for this item Link to SFX for this item
17. Koehn, A. "Towards the Hartree-Fock and coupled-cluster singles and doubles basis set limit: A study of various models that employ single excitations into a complementary auxiliary basis set." The Journal of chemical physics 132.2 (2010): 24101-. Link to Full Text for this item Link to SFX for this item
18. Boopathy Gnanaprakasam and David Milstein;, B. "Synthesis of Amides from Esters and Amines with Liberation of H2 under Neutral Conditions." Journal of the American Chemical Society 133.6 (2011): 1682-1685. Link to Full Text for this item Link to SFX for this item
19. Sup, Lee e. "Ring deformation and pi-electron redistribution of methylbenzenes induced by metal coordination." The journal of physical chemistry. A 114.34 (2010): 9136-9143. Link to Full Text for this item Link to SFX for this item
20. Velian, A. "Synthesis and C-C Coupling Reactivity of a Dinuclear Ni-I-Ni-I Complex Supported by a Terphenyl Diphosphine." Journal of the American Chemical Society 132.18 (2010): 6296-7. Link to Full Text for this item Link to SFX for this item
View More...
View Less...
Select All Clear All

Expand list of advanced services Advanced
A service provided by the Library of the Wissenschaftspark Albert Einstein, Potsdam, Germany.
© 2005 SFX by Ex Libris Inc.