Results 241 to 250 of about 464,016 (298)

Dynamics of protonated oxalate from machine-learned simulations and experiment: infrared signatures, proton transfer dynamics and tunneling splittings. [PDF]

Phys Chem Chem Phys
Andreichev V, Käser S, Bocanegra EL, Salik M, Johnson MA, Meuwly M.   +5 more
europepmc   +1 more source

Time-Resolved Study of Light-Induced Ground-State Proton Transfer from an Acidic Medium to 4‑Nitrophenolate. [PDF]

ACS Phys Chem Au
Scorsin L, Nome RA, Affeldt RF, Rodembusch FS, Nome F.   +4 more
europepmc   +1 more source

Benchmark of Approximate Quantum Chemical and Machine Learning Potentials for Biochemical Proton Transfer Reactions. [PDF]

J Chem Theory Comput
Arantes GM, Řezáč J.
europepmc   +1 more source

Excited-State Proton Transfer in Push-Pull N-Methyl Pyridium Reversible Super-Photoacids Ruled by Intramolecular Hydrogen-Bond-Like Interactions. [PDF]

Chemistry
Cesaretti A, Bonaccorso C, Alebardi M, Grasso A, Quinzi R, Carlotti B, Elisei F, Fortuna CG, Spalletti A.   +8 more
europepmc   +1 more source

Breath profiles in paediatric allergic asthma by proton transfer reaction mass spectrometry. [PDF]

BMJ Open Respir Res
Houssni L, Srdjan M, Tobias B, Yvette B, Fabio DF, Patricia K, Tommaso L, André P, Tiwari P, Serena R, Matyas R, Ronja W, El Haddad I, Moeller A.   +13 more
europepmc   +1 more source

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Proton-Coupled Electron Transfer

Chemical Reviews, 2012
▪ Abstract Proton-coupled electron transfer (PCET) is an important mechanism for charge transfer in a wide variety of systems including biology- and materials-oriented venues.
Christopher J Gagliardi, Amit Paul, Daniel H Ess   +2 more
exaly   +3 more sources

PROTON-COUPLED ELECTRON TRANSFER

Annual Review of Physical Chemistry, 1998
▪ Abstract  Proton-coupled electron transfer (PCET) is an important mechanism for charge transfer in a wide variety of systems including biology- and materials-oriented venues. We review several areas where the transfer of an electron and proton is tightly coupled and discuss model systems that can provide an experimental basis for a test of PCET ...
Robert I Cukier, Daniel G Nocera
exaly   +3 more sources

Electron-Induced Proton Transfer

The Journal of Physical Chemistry B, 2021
The pathway of activationless proton transfer induced by an electron-transfer reaction is studied theoretically. Long-range electron transfer produces highly nonequilibrium medium polarization that can drive proton transfer through an activationless transition during the process of thermalization, dynamically altering the screening of the electron ...
Dmitry V. Matyushov, Marshall D. Newton
openaire   +2 more sources

Proton transfer at carbon

Current Opinion in Chemical Biology, 2001
The viability of living systems requires that C--H bonds of biological molecules be stable in water, but that there also be a mechanism for shortening the timescale for their heterolytic cleavage through enzymatic catalysis of a variety of catabolic and metabolic reactions.
J P, Richard, T L, Amyes
openaire   +2 more sources

Intramolecular Proton Transfer

Organic Letters, 2002
[structure: see text] Reversal of the normal kinetic protonation stereochemistry results as a consequence of intramolecular delivery.
Howard E, Zimmerman, Pengfei, Wang
openaire   +2 more sources