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M i s c e l l a n e o u s
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Web articles: NMR
- 13C NMR Spectrum Prediction of 3,3-Diethynyl-1-cyclopropene by Theoretical Calculations, 2003.
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- HomoSpoil Experiments on AVANCE, 1998. [HTML]
- Shaped Pulses in NMR, Part II. Ultrabroadband Heteronuclear Decoupling Methods (CHIRP, WURST), 1998. [HTML]
- Shaped Pulses in NMR, Part I. Application of Band-Selective HomoDecoupling (SESAM), 1997. [HTML]
- Iodine NMR Introduction (127I), 1997. [HTML]
Online presentations: Computational chemistry
- Ananikov V.P., Musaev D.G., Morokuma K., "Theoretical Insight into the C-C Coupling Reactions of the Vinyl, Phenyl, Ethynyl and Methyl Complexes of Palladium and Platinum", 10-th Electronic Computational Chemistry Conference, 2005.
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- Ananikov V.P., "Theoretical study of tandem cycloaddition and fragmentation reactions",
9-th Electronic Computational Chemistry Conference, 2003.
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- Ananikov V.P., Musaev D.G., Morokuma K., "A Theoretical Study of Vinyl-Vinyl Coupling on
Late Transition Metals", 8-th Electronic Computational Chemistry Conference, 2002.
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- Ananikov V.P., Musaev D.G., Morokuma K., "Catalytic Triple Bond Activation and Vinyl-Vinyl Reductive
Coupling by Pt(IV) Complexes: A Density Functional Study",
7-th Electronic Computational Chemistry Conference, 2001.
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- Ananikov V.P., "Ab initio study of the mechanisms of intermolecular and
intramolecular [4+2] cycloaddition reactions of conjugated enynes",
7-th Electronic Computational Chemistry Conference, 2001.
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Science and beyond
Below is an old stuff, which I keep to avoid broken links.
From time to time I glance though it and I am puzzling myself: How did we manage to complete theoretical studies on a single 120 MHz Cyrix CPU with 32 Mb RAM? We did use the GAMESS, GAUSSIAN, ADF and AMBER software, didn't we?
Same quality study now requires a hundred CPUs multi-GHz cluster. I have a feeling that we are losing something in this GHz race.
Computations and related topics
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