Results 111 to 120 of about 96,443 (174)

First-Principles Investigation of Hydroxyl Species Formation on β-MnO₂(110) for Catalytic Oxidation Applications. [PDF]

ACS Omega
Tharat B, Untarabut P, Junkaew A, Suthirakun S.   +3 more
europepmc   +1 more source

Sliding friction over individual covalent bonds correlates with bond order

Nam S, Hörmann L, Gretz O, Hofmann O, Giessibl F, Weymouth A.   +5 more
europepmc   +1 more source

Low-Barrier Hydrogen Bond between Phosphate and the Amide Group in Phosphopeptide

Journal of the American Chemical Society, 2005
As the conversion between the monoionic (1) and diionic (2) form of the phosphate occurs, the phosphorylated peptides or proteins can not only cause the formation of a hydrogen bond between the phosphate group and the amide group but also change the ...
Jintang Du, Yanmei Li, Wei Wei, Guoshi Wu, Yufen Zhao, Kenji Kanazawa, Tadashi Nemoto, Hiroshi Nakanishi   +7 more
semanticscholar   +5 more sources

Theoretical Study of the Low-Barrier Hydrogen Bond in the Hydrogen Maleate Anion in the Gas Phase. Comparison with Normal Hydrogen Bonds

Journal of the American Chemical Society, 1997
Relative strengths of normal and low-barrier hydrogen bonds (LBHBs) in the gas phase were analyzed by means of quantum-mechanical and thermodynamic calculations on the mesaconic/citraconic and several maleic/fumaric cis/trans isomerization equilibria ...
Mireia Garcia‐Viloca, Àngels González‐Lafont, José M. Lluch   +2 more
semanticscholar   +4 more sources

Transient low-barrier hydrogen bond in the photoactive state of green fluorescent protein

Physical Chemistry Chemical Physics, 2015
In this paper, we have analyzed the feasibility of spontaneous proton transfer in GFP at the Franck-Condon region directly after photoexcitation. Computation of a sizeable portion of the potential energy surface at the Franck-Condon region of A the ...
Marc Nadal-Ferret, Ricard Gelabert, Miquel Moreno, José M. Lluch   +3 more
semanticscholar   +5 more sources

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A low-barrier hydrogen bond in the catalytic triad of serine proteases.

Science, 1994
Spectroscopic properties of chymotrypsin and model compounds indicate that a low-barrier hydrogen bond participates in the mechanism of serine protease action.
P. Frey, S. A. Whitt, John B. Tobin
semanticscholar   +4 more sources

Hydrogen-bond networks: strengths of different types of hydrogen bonds and an alternative to the low barrier hydrogen-bond proposal.

Journal of the American Chemical Society, 2013
We report quantifying the strengths of different types of hydrogen bonds in hydrogen-bond networks (HBNs) via measurement of the adiabatic electron detachment energy of the conjugate base of a small covalent polyol model compound (i.e., (HOCH2CH2CH(OH ...
Alireza Shokri, Yanping Wang, G. O'Doherty, Xue‐Bin Wang, S. Kass   +4 more
semanticscholar   +4 more sources

Energetics of a Low Barrier Hydrogen Bond in Nonpolar Solvents

Journal of the American Chemical Society, 1996
A measure of the strength of a low barrier hydrogen bond (LBHB) in apolar organic media was obtained using synthetic molecules derived from Kemp's triacid. The structures feature unusually rigid conformations that enforce intramolecular hydrogen bonds in
Y. Kato, A. Toledo, J. Rebek
semanticscholar   +3 more sources