Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions

CrystEngComm ◽  
2010 ◽  
Vol 12 (11) ◽  
pp. 3758 ◽  
Author(s):  
Miquel Barceló-Oliver ◽  
Carolina Estarellas ◽  
Angel García-Raso ◽  
Angel Terrón ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Crucial Role ◽  
Theoretical Study ◽  
Noncovalent Interactions ◽  
Uracil Derivatives

Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions

CrystEngComm ◽  
2012 ◽  
Vol 14 (18) ◽  
pp. 5777 ◽  
Author(s):  
Miquel Barceló-Oliver ◽  
Beatriz A. Baquero ◽  
Antonio Bauzá ◽  
Angel García-Raso ◽  
Angel Terrón ◽  
...  
Keyword(s):  
Crucial Role ◽  
Theoretical Study ◽  
Noncovalent Interactions

Ternary Complexes Stabilized by Chalcogen and Alkaline‐Earth Bonds: Crucial Role of Cooperativity and Secondary Noncovalent Interactions

2019 ◽  
Vol 25 (50) ◽  
pp. 11688-11695 ◽  
Author(s):  
Otilia Mó ◽  
M. Merced Montero‐Campillo ◽  
Ibon Alkorta ◽  
José Elguero ◽  
Manuel Yáñez
Keyword(s):  
Crucial Role ◽  
Alkaline Earth ◽  
Noncovalent Interactions ◽  
Ternary Complexes

Theoretical study on the torsional potential of alkyl, donor, and acceptor substituted bithiophene: the hidden role of noncovalent interaction and backbone conjugation

2015 ◽  
Vol 17 (6) ◽  
pp. 4127-4136 ◽  
Author(s):  
Tzu-Jen Lin ◽  
Shiang-Tai Lin
Keyword(s):  
Theoretical Study ◽  
Noncovalent Interactions ◽  
Noncovalent Interaction ◽  
Steric Repulsion ◽  
Torsional Potential ◽  
Donor And Acceptor

The torsional potential of substituted bithiophene is influenced not only by steric repulsion, but also by backbone conjugation and noncovalent interactions.

The crucial role of a Ni(i) intermediate in Ni-catalyzed carboxylation of aryl chloride with CO2: a theoretical study

2013 ◽  
Vol 49 (91) ◽  
pp. 10715 ◽  
Author(s):  
Fareed Bhasha Sayyed ◽  
Yasushi Tsuji ◽  
Shigeyoshi Sakaki
Keyword(s):  
Crucial Role ◽  
Theoretical Study ◽  
Aryl Chloride

Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions

2013 ◽  
Vol 54 (39) ◽  
pp. 5355-5360 ◽  
Author(s):  
Miquel Barceló-Oliver ◽  
Antonio Bauzá ◽  
Beatriz A. Baquero ◽  
Angel García-Raso ◽  
Angel Terrón ◽  
...  
Keyword(s):  
Crucial Role ◽  
Theoretical Study ◽  
Π Interactions

Theoretical Study of the Adsorption of Alkylamines in H-Mordenite: The Role of Noncovalent Interactions

2015 ◽  
Vol 119 (15) ◽  
pp. 8112-8123 ◽  
Author(s):  
Lenin Díaz Soto ◽  
Aníbal Sierraalta ◽  
Rafael Añez ◽  
Marco Antonio Chaer Nascimento
Keyword(s):  
Theoretical Study ◽  
Noncovalent Interactions

scholarly journals Pressure-induced non-innocence in bis(1,2-dionedioximato)Pt(ii) complexes: an experimental and theoretical study of their insulator–metal transitions

2020 ◽  
Vol 22 (12) ◽  
pp. 6677-6689 ◽  
Author(s):  
Helen Benjamin ◽  
Jonathan G. Richardson ◽  
Stephen A. Moggach ◽  
Sergejs Afanasjevs ◽  
Lisette Warren ◽  
...  
Keyword(s):  
High Pressure ◽  
Metal Complexes ◽  
Crucial Role ◽  
Theoretical Study ◽  
Conductivity Measurements ◽  
Linear Chains

Bis(1,2-dionedioximato) complexes of Pt(ii) form linear chains of metal complexes that metallise under pressure. Through high-pressure structural, computational and conductivity measurements we show the crucial role of the ligand in dictating these properties.

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