✦ LIBER ✦

Quantum chemical topological analysis of hydrogen bonding in HX…HX and CH 3 X…HX dimers (X = Br, Cl, F)

✍ Scribed by Cormanich, Rodrigo A.; Santiago, Régis T.; La Porta, Felipe A.; Freitas, Matheus P.; Rittner, Roberto; da Cunha, Elaine F.F.; Andres, Juan; Longo, Elson; Ramalho, Teodorico C.

Book ID: 121753151
Publisher: Taylor and Francis Group
Year: 2014
Tongue: English
Weight: 373 KB
Volume: 41
Category: Article
ISSN: 0892-7022
DOI: 10.1080/08927022.2014.904514

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio study of the hydrogen-bonded c

Ab initio study of the hydrogen-bonded complexes NH3 ⋯ HX, PH3 ⋯ HX and NH3 ⋯ (HX)2 where X  F, Cl

✍ Alan Hinchliffe 📂 Article 📅 1983 🏛 Elsevier Science 🌐 English ⚖ 379 KB

Correlated dipole polarizabilities and d

✍ Martin J. Packer; Erik K. Dalskov; Stephan P. A. Sauer; Jens Oddershede 📂 Article 📅 1994 🏛 Springer 🌐 English ⚖ 709 KB

Ab Initio Rate Constants for Unimolecula

Ab Initio Rate Constants for Unimolecular Reactions: Eliminations of HX from CH 3 CH 2 X and DX from CD 3 CD 2 X (X = Cl, Br)

✍ McGrath, M. P.; Rowland, F. S. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 149 KB

Computational Comparison of S N 2 Substi

Computational Comparison of S N 2 Substitution Reactions of C HX •- and CH 2 X - with CH 3 X (X = Cl, Br). Do Open-Shell and Closed-Shell Anions React Differently?

✍ McKee, Michael L. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 161 KB

Quantum-chemical study of the cleavage o

Quantum-chemical study of the cleavage of the C-X bonds in the radical ions CH3X∸ (X=F, Cl, Br, I)

✍ K. Ya. Burshtein; É. D. German 📂 Article 📅 1988 🏛 Springer 🌐 English ⚖ 419 KB

The Badger–Bauer Rule Revisited: Correla

The Badger–Bauer Rule Revisited: Correlation of Proper Blue Frequency Shifts in the OC Hydrogen Acceptor with Morphed Hydrogen Bond Dissociation Energies in OC–HX (X = F, Cl, Br, I, CN, CCH)

✍ Rivera-Rivera, Luis A.; McElmurry, Blake A.; Scott, Kevin W.; Lucchese, Robert R 📂 Article 📅 2013 🏛 American Chemical Society 🌐 English ⚖ 430 KB