97 research outputs found
Controlled introduction of substituents and interring haptotropic rearrangements in naphthalene chromium tricarbonyl complexes and their derivatives
No full textTheoretical investigation of structure and properties of tetraaminoethylene by ab initio and density functional theory methods
No full texthe mol. structures were calcd. for tetraaminoethylene (1)and its isomer 2,2-diaminoacetamidine (2)in the frameworks of DFT and MP2 methods. Ionization potential, potential energy surface, dissocn. energy onto aminocarbenes, and transition state structure in the protonation reaction path are also reported for 1
Synthesis and reactions of chromium tricarbonyl complexes of 5,10-dihydroindeno[2,1-a]indene
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The activation of C-H bonds in C1-C3 alkanes by zirconium(III,IV) and titanium(III,IV) hydrides immobilized on the surface of SiO2: a density functional theory study
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Novel Tricarbonylchromium Complexes of 1,10- and 1,8-Dihydro-1,6-methano[10]annulenes and Their Ricochet Inter-Ring Haptotropic Rearrangements
No full textCleavage of the Fe-C bond during the exchange of the carbonyl ligand of C5H5 Fe (CO) [P(O C6 H5)3] C6 H5 by triphenyl phosphite
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