113 research outputs found
Single‐ended transition state finding with the growing string method
Full text linkPeer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/110705/1/jcc23833.pd
Reliable and efficient reaction path and transition state finding for surface reactions with the growing string method
Full text linkPeer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/136310/1/jcc24720_am.pdfhttps://deepblue.lib.umich.edu/bitstream/2027.42/136310/2/jcc24720.pd
Metal-catalyzed 1,3-dipolar cycloaddition reactions of nitrile oxides
Get PDFIn the present review advances in the metal-catalyzed 1,3-dipolar cycloaddition reactions of nitrile oxides, mainly in the last decade, will be presented and discussed. An overview on the structure, preparation, dimerization and related reactions as well as the relevant aspects in the cycloaddition chemistry of nitrile oxides (including mechanistic aspects) have also been considered
Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules
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Cycloadditions dipolaires 1,3. XXIX. Addition de deux esters nitroniques isomères à diverses défines. Etude de la régiosélectivitè et du mode d'approche du dipolarophile par le dipôle
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