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Investigation of the resonance-assisted hydrogen bond in model ß-diketones through localized molecular orbital analysis of the spin-spin coupling constants related to the O-H· · ·O hydrogen bond
(John Wiley & Sons Ltd, 2014-09)
The resonance-assisted hydrogen bond (HB) phenomenon has been studied theoretically by a localized molecular orbital (LMO) decomposition of the spin–spin coupling constants between atoms either involved or close to the ...
An insight into the thermostability of a pair of xylanases: the role of hydrogen bonds
(TAYLOR & FRANCIS LTD, 2009)
Xylanases are enzymes that are very tolerant to temperature. Their potential use in several biotechnological applications, such as animal food manufacture and pulp bleaching, is due to their intrinsic thermostability. The ...
C-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds in liquid amides investigated by Monte Carlo simulation
(Wiley-Blackwell, 1997-12-05)
Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N,N-dimethylformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ... O and ...
C - H ⋯ 0 and N - H ⋯ 0 hydrogen bonds in liquid amides investigated by monte carlo simulation
(1997-12-01)
Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N, N-dimethytformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ⋯ O and ...
C-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds in liquid amides investigated by Monte Carlo simulation
(Wiley-Blackwell, 1997-12-05)
Monte Carlo simulations of liquid formamide, N-methylformamide (MF), and N,N-dimethylformamide (DMF) have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ... O and ...
A dense hydrogen-bonding network and an unusually large packing index in triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine- 5-carboxylato)neodymium(III) trihydrate
(2013)
The title mononuclear complex, [Nd(C5H3N2O3)3(H2O)3] -
3H2O, consists of an NdIII cation, three 2,4-dioxo-1,2,3,4-
tetrahydropyrimidine-5-carboxylate ligands and three aqua
ligands forming the neutral complex molecule, ...
Molecular Orbital Calculations of Hydrogen Bonding in Ammonia - Formic Acid System in the Presence of Electric Fields
(Sociedad Chilena de Química, 2004)
Using sandersons principle to estimate global electronic properties and bond energies of hydrogen bonded complexes
(AMERICAN CHEMICAL SOCIETY, 2000)
Study of the cell wall components produced during different ripening stages through thermogravimetric analysis
(Springer Netherlands, 2019)