The dynamics of a tunneling proton in a symmetric H-bond is described in terms of a simple spin-boson model. The quantum evolution is exactly solved and this allows us to derive the expression of the rate constant in terms of the 'microscopic' parameters of the model and also to discuss the validity range of the transition state theory description of proton transfer phenomena
A theoretical model for the intermolecular proton transfer AH+ + B ⇄ A + HB+ between identical molec...
The mechanistic details of hydrogen transfer in biological systems are not fully understood. The tra...
Author Institution: University of Wisconsin-Madison, Madison, Wisconsin 53706Formic Acid Dimer (FAD)...
The dynamics of a tunneling proton in a symmetric H-bond is described in terms of a simple spin-boso...
11 pages, Revtex, corrected some typos.International audienceWe study the dynamical behaviour of the...
Author Institution: CASA theory of tunneling splitting in hydrogen-bonded systems and hydrogen tunne...
The reaction path of the interacting-state model with the Lippincott-Schroeder potential for hydroge...
We present a model of proton tunnelling across DNA hydrogen bonds, compute the characteristic tunnel...
The energies of the canonical (standard, amino-keto) and tautomeric (non-standard, imino-enol) charg...
A theoretical study is reported of a system of two identical symmetric hydrogen bonds, weakly couple...
Several aspects of proton transfer in polar solvents are examined. The studies carried out can be di...
A density matrix evolution (DME) method (Berendsen, H. J. C.; Mavri, J. J. Phys. Chem. the preceding...
The two-dimensional potential energy surface (PES) of the quasi-symmetric OHO fragment suggested ear...
Reaction rates of chemical reactions can be generally well described by classical transition state t...
The influence of external ions upon the dynamics of proton transfer between the H2O subunits in (H2O...
A theoretical model for the intermolecular proton transfer AH+ + B ⇄ A + HB+ between identical molec...
The mechanistic details of hydrogen transfer in biological systems are not fully understood. The tra...
Author Institution: University of Wisconsin-Madison, Madison, Wisconsin 53706Formic Acid Dimer (FAD)...
The dynamics of a tunneling proton in a symmetric H-bond is described in terms of a simple spin-boso...
11 pages, Revtex, corrected some typos.International audienceWe study the dynamical behaviour of the...
Author Institution: CASA theory of tunneling splitting in hydrogen-bonded systems and hydrogen tunne...
The reaction path of the interacting-state model with the Lippincott-Schroeder potential for hydroge...
We present a model of proton tunnelling across DNA hydrogen bonds, compute the characteristic tunnel...
The energies of the canonical (standard, amino-keto) and tautomeric (non-standard, imino-enol) charg...
A theoretical study is reported of a system of two identical symmetric hydrogen bonds, weakly couple...
Several aspects of proton transfer in polar solvents are examined. The studies carried out can be di...
A density matrix evolution (DME) method (Berendsen, H. J. C.; Mavri, J. J. Phys. Chem. the preceding...
The two-dimensional potential energy surface (PES) of the quasi-symmetric OHO fragment suggested ear...
Reaction rates of chemical reactions can be generally well described by classical transition state t...
The influence of external ions upon the dynamics of proton transfer between the H2O subunits in (H2O...
A theoretical model for the intermolecular proton transfer AH+ + B ⇄ A + HB+ between identical molec...
The mechanistic details of hydrogen transfer in biological systems are not fully understood. The tra...
Author Institution: University of Wisconsin-Madison, Madison, Wisconsin 53706Formic Acid Dimer (FAD)...