Approximate Additivity of Anion−π Interactions:  An Ab Initio Study on Anion−π, Anion−π2and Anion−π3Complexes

2005 ◽  
Vol 109 (41) ◽  
pp. 9341-9345 ◽  
Author(s):  
Carolina Garau ◽  
David Quiñonero ◽  
Antonio Frontera ◽  
Pablo Ballester ◽  
Antoni Costa ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Π Interactions

Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π–π interactions

2011 ◽  
Vol 975 (1-3) ◽  
pp. 106-110 ◽  
Author(s):  
Carolina Estarellas ◽  
Antonio Frontera ◽  
David Quiñonero ◽  
Pere M. Deyà
Keyword(s):  
Hydrogen Bonding ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Π Interactions

Can BB triple bond be as potential proton acceptor: An ab initio study on unusual intermolecular T-shaped X–H···π interactions between OCBBCO and HF, HCl, HCN or H2C2

2008 ◽  
Vol 455 (1-3) ◽  
pp. 32-37 ◽  
Author(s):  
Fu-de Ren ◽  
Duan-lin Cao ◽  
Wen-liang Wang ◽  
Jian-long Wang ◽  
Yong-xiang Li ◽  
...  
Keyword(s):  
Ab Initio ◽  
Triple Bond ◽  
Proton Acceptor ◽  
Ab Initio Study ◽  
Π Interactions

Theoretical ab initio study of anion–π interactions in inorganic rings

2012 ◽  
Vol 530 ◽  
pp. 145-150 ◽  
Author(s):  
Antonio Bauzá ◽  
David Quiñonero ◽  
Pere M. Deyà ◽  
Antonio Frontera
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Π Interactions ◽  
Inorganic Rings

Anion-π interactions in five-membered rings: a combined crystallographic and ab initio study

2003 ◽  
Vol 382 (5-6) ◽  
pp. 534-540 ◽  
Author(s):  
Carolina Garau ◽  
Antonio Frontera ◽  
David Quiñonero ◽  
Pau Ballester ◽  
Antonio Costa ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Π Interactions

Theoretical ab initio study of lone pair and anion–π interactions in fluorinated tropolones

2012 ◽  
Vol 998 ◽  
pp. 20-25 ◽  
Author(s):  
Antonio Bauzá ◽  
David Quiñonero ◽  
Pere M. Deyà ◽  
Antonio Frontera
Keyword(s):  
Ab Initio ◽  
Lone Pair ◽  
Ab Initio Study ◽  
Π Interactions

Cation-π versus anion-π interactions: a comparative ab initio study based on energetic, electron charge density and aromatic features

2004 ◽  
Vol 392 (1-3) ◽  
pp. 85-89 ◽  
Author(s):  
Carolina Garau ◽  
Antonio Frontera ◽  
David Quiñonero ◽  
Pau Ballester ◽  
Antonio Costa ◽  
...  
Keyword(s):  
Charge Density ◽  
Ab Initio ◽  
Energetic Electron ◽  
Electron Charge ◽  
Ab Initio Study ◽  
Electron Charge Density ◽  
Π Interactions

High-Level Ab Initio Study of Anion–π Interactions in Pyridine and Pyrazine Rings Coordinated to AgI

ChemPhysChem ◽  
2008 ◽  
Vol 9 (3) ◽  
pp. 397-399 ◽  
Author(s):  
David Quiñonero ◽  
Antonio Frontera ◽  
Pere M. Deyà
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Π Interactions ◽  
High Level
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