A theoretical study of imine hydrocyanation catalyzed by halogen-bonding

2015 ◽  
Vol 36 (24) ◽  
pp. 1812-1817 ◽  
Author(s):  
Norah Heinz ◽  
Michael Dolg ◽  
Albrecht Berkessel
Keyword(s):  
Theoretical Study ◽  
Halogen Bonding

scholarly journals Non-covalent interactions of uranyl complexes: a theoretical study

2018 ◽  
Vol 20 (22) ◽  
pp. 15380-15388 ◽  
Author(s):  
James A. Platts ◽  
Robert J. Baker
Keyword(s):  
Ab Initio ◽  
Theoretical Study ◽  
Halogen Bonding ◽  
Uranyl Complexes ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Ab initio and DFT data quantify the ability of model uranyl complexes to engage in hydrogen- and halogen-bonding, quantifying the weakness of U–Oyl as an acceptor but the strength of equatorial OH2 as a donor.

Theoretical Study on Cooperativity Effects between Anion-π and Halogen-Bonding Interactions

ChemPhysChem ◽  
2011 ◽  
Vol 12 (15) ◽  
pp. 2742-2750 ◽  
Author(s):  
Carolina Estarellas ◽  
Antonio Frontera ◽  
David Quiñonero ◽  
Pere M. Deyà
Keyword(s):  
Theoretical Study ◽  
Halogen Bonding ◽  
Cooperativity Effects

Halogen Bonding Interactions ofsym-Triiodotrifluorobenzene with Halide Anions: A Combined Structural and Theoretical Study

2008 ◽  
Vol 8 (7) ◽  
pp. 2241-2247 ◽  
Author(s):  
Sonia Triguero ◽  
Rosa Llusar ◽  
Victor Polo ◽  
Marc Fourmigué
Keyword(s):  
Theoretical Study ◽  
Halogen Bonding ◽  
Halide Anions

Preorganization-enhanced halogen bonding via intramolecular hydrogen bonding: a theoretical study

2020 ◽  
Vol 31 (5) ◽  
pp. 1999-2009
Author(s):  
Yanling Huang ◽  
Shaoze Zhang ◽  
Zhijian Xu ◽  
Honglai Liu ◽  
Yunxiang Lu
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Study ◽  
Halogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
Intramolecular Hydrogen

Substituent and transition metal effects on halogen bonding: CSD search and theoretical study

2014 ◽  
Vol 1029 ◽  
pp. 21-25 ◽  
Author(s):  
Weihong Wu ◽  
Yunxiang Lu ◽  
Yingtao Liu ◽  
Changjun Peng ◽  
Honglai Liu
Keyword(s):  
Transition Metal ◽  
Theoretical Study ◽  
Halogen Bonding

Halogen bonding interactions in ion pairs versus conventional charge-assisted and neutral halogen bonds: a theoretical study based on imidazolium species

RSC Advances ◽  
2015 ◽  
Vol 5 (91) ◽  
pp. 74284-74294 ◽  
Author(s):  
Shaoze Zhang ◽  
Zhaoqiang Chen ◽  
Yunxiang Lu ◽  
Zhijian Xu ◽  
Weihong Wu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Ion Pairs ◽  
Halogen Bonding ◽  
Halogen Bonds ◽  
Different Types

The properties of three different types of halogen bonds in the complexes of imidazolium species are characterized.

A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides

2013 ◽  
Vol 19 (9) ◽  
pp. 3821-3829 ◽  
Author(s):  
Na Cheng ◽  
Yongjun Liu ◽  
Changqiao Zhang ◽  
Chengbu Liu
Keyword(s):  
Theoretical Study ◽  
Halogen Bonding ◽  
Group 10
Sign in / Sign up

Export Citation Format

Share Document