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کلمات کلیدی: Transition state
موارد یافت شده: 9
1 - HOMO-LUMO Energy and NBO Analysis on Chemical Reactivity Description of Some Derivatives of 1-Pyrazolines (چکیده)2 - Kinetic Isotope Effects Investigation on the Mechanism of Nitrogen Extrusion from 3-Methyl-1-Pyrazoline (چکیده)
3 - A Theoretical Study on the Solvent Effects in pericyclic Reactions Part I: 3,4-Dimethyl-2,5-dihydrothiophen-1,1-dioxide (چکیده)
4 - Kinetics and Mechanism of 4-Methyl-1- Pyrazoline Pyrolysis in the Gas Phase, A Computational Study (چکیده)
5 - TEMPERATURE EFFECTS ON SPINACH PLASTOCYANIN:MOLECULAR DYNAMICS SIMULATION STUDY (چکیده)
6 - Theoretical Computation on the Reto-ene Reactions, Part III : Allyl Methyl Amine Pyrolysis in the Gas Phase (چکیده)
7 - Reactivity and mechanism of bromide oxidation by vanadium bromoperoxidase functional model complexes: A DFT study (چکیده)
8 - Ab initio study of intramolecular hetero-Diels-Alder reaction of ABT-773 (چکیده)
9 - DFT investigation of bromide oxidation mechanism by [V(5+)O(O2)Hheida]. Determination of reactive, transition state and product compounds (چکیده)
