✦ LIBER ✦

Theoretical Study on the Mechanism and Regioselectivity of the Macromolecular Substitution Reactions of [NPCl 2 ] n with Bifunctional Nucleophiles by a Combination of Quantum Mechanical and Molecular Dynamics Calculations

✍ Scribed by Frutos, Luis M.; Carriedo, Gabino A.; Tarazona, M. Pilar; Saiz, Enrique

Book ID: 126259944
Publisher: American Chemical Society
Year: 2009
Tongue: English
Weight: 1004 KB
Volume: 42
Category: Article
ISSN: 0024-9297
DOI: 10.1021/ma9015938

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Modeling the Dynamic Equilibrium between

Modeling the Dynamic Equilibrium between Oligomers of (AlOCH 3 ) n in Methylaluminoxane (MAO). A Theoretical Study Based on a Combined Quantum Mechanical and Statistical Mechanical Approach

✍ Zurek, E.; Woo, T. K.; Firman, T. K.; Ziegler, T. 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 159 KB

A combined molecular dynamics simulation

A combined molecular dynamics simulation and quantum chemical study on the mechanism for activation of the OxyR transcription factor by hydrogen peroxide

✍ K??a, Juraj; Brinck, Tore 📂 Article 📅 2006 🏛 Royal Society of Chemistry 🌐 English ⚖ 426 KB

A Comprehensive Theoretical Study on the

A Comprehensive Theoretical Study on the Reactions of Sc+ with CnH2n+2 (n=1–3): Structure, Mechanism, and Potential-Energy Surface

✍ Dongju Zhang; Chengbu Liu; Siwei Bi; Shiling Yuan 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 589 KB

A theoretical study on the mechanism and

A theoretical study on the mechanism and dynamics of reactions (CF 3 ) 2 CHOCH 2 F/(CF 3 ) 2 CHOCHF 2 with OH radical

✍ Wang, Chunzhang; Wen, Jinmiao; He, Hongqing; Wang, Li 📂 Article 📅 2014 🏛 Taylor and Francis Group 🌐 English ⚖ 923 KB

The Tricarbonylchromium Complex of a Tri

The Tricarbonylchromium Complex of a Trimethyltin-Substituted N-(Triisopropylsilyl)indole − A Dynamic NMR Study of Multiple Independent Rotation Processes in the Solid State with an X-ray Diffraction Structure and Molecular Mechanics Calculations

✍ Abil E. Aliev; J. Edgar Anderson; David Butler; Jorge Gonzalez-Outeiriňo; Lodovi 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 469 KB 👁 2 views

ChemInform Abstract: Competitive Reactiv

ChemInform Abstract: Competitive Reactivity of the Aryl Isothiocyanate Dipolarophile at N=C versus C=S with Nucleophilic 1,3-Dipoles: A Combined Experimental and Theoretical Study. The Reactions of Substituted 1,2,3-Triazolium-1-aminide 1,3-Dipoles with Aryl Isothiocyanates: New Tricyclic Thiazolo[4,5-d][1,2,3]triazoles.

✍ R. N. BUTLER; D. C. GROGAN; P. D. MCDONALD; L. A. BURKE 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 32 KB 👁 2 views