A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between cation–molecule and hydrogen-bonding interactions in the O-cresol complex with Na+

2012 ◽  
Vol 996 ◽  
pp. 91-102 ◽  
Author(s):  
Yong-gan Yan ◽  
Wen-jing Shi ◽  
Guo-rui Feng ◽  
Fu-de Ren ◽  
Yong Wang
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Investigation ◽  
Hydrogen Bonding Interactions ◽  
Cooperativity Effect

Experimental and Theoretical Investigation of Vibrational Overtones of Glycolic Acid and Its Hydrogen Bonding Interactions with Water

2006 ◽  
Vol 110 (20) ◽  
pp. 6439-6446 ◽  
Author(s):  
Daniel K. Havey ◽  
Karl J. Feierabend ◽  
Kaito Takahashi ◽  
Rex T. Skodje ◽  
Veronica Vaida
Keyword(s):  
Hydrogen Bonding ◽  
Theoretical Investigation ◽  
Glycolic Acid ◽  
Hydrogen Bonding Interactions ◽  
Vibrational Overtones

Exchange Coupling of Transition-Metal Ions through Hydrogen Bonding:  A Theoretical Investigation

2002 ◽  
Vol 124 (18) ◽  
pp. 5197-5205 ◽  
Author(s):  
Cédric Desplanches ◽  
Eliseo Ruiz ◽  
Antonio Rodríguez-Fortea ◽  
Santiago Alvarez
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Metal Ions ◽  
Theoretical Investigation ◽  
Exchange Coupling ◽  
Transition Metal Ions

Theoretical study of hydrogen bonding interactions in substituted nitroxide radicals

2021 ◽  
Author(s):  
Thufail M. Ismail ◽  
Neetha Mohan ◽  
P. K. Sajith
Keyword(s):  
Hydrogen Bonding ◽  
Interaction Energy ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Theoretical Study ◽  
Nitroxide Radicals ◽  
Hydrogen Bonding Interactions ◽  
Bonded Complexes ◽  
Hydrogen Bonded

Interaction energy (Eint) of hydrogen bonded complexes of nitroxide radicals can be assessed in terms of the deepest minimum of molecular electrostatic potential (Vmin).

scholarly journals Circular linkage of intramolecular multi-hydrogen bonding frameworks through nucleophilic substitutions of β-dicarbonyls onto cyanuric chloride and subsequent tautomerisation

RSC Advances ◽  
2020 ◽  
Vol 10 (64) ◽  
pp. 39033-39036
Author(s):  
Ayano Awatani ◽  
Masaaki Suzuki
Keyword(s):  
Hydrogen Bonding ◽  
Cyanuric Chloride ◽  
Nucleophilic Substitutions ◽  
Hydrogen Bonding Interactions ◽  
Triazine Derivatives

Triply β-dicarbonyl-embedded 1,3,5-triazine derivatives result in formation of circular linkage of resonance-assisted hydrogen bonding interactions, which can be regarded as well-delocalized resonance hybrids.

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