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The Journal of Chemical Physics
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April 23, 2024
A novel non-adiabatic spin relaxation mechanism in molecular qubits
Philip Shushkov
The Journal of Chemical Physics
|
June 21, 2013
On the connection of semiclassical instanton theory with Marcus theory for electron transfer in solution
Philip Shushkov
The Journal of Chemical Physics
|
October 10, 2019
Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature
Philip Shushkov, Thomas F Miller
The Journal of Chemical Physics
|
March 17, 2018
Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
Xuecheng Tao, Philip Shushkov, Thomas F Miller
The Journal of Physical Chemistry. A
|
July 11, 2008
Systematic study of the influence of base-step parameters on the electronic coupling between base-pair dimers: comparison of A-DNA and B-DNA forms
Anela Ivanova, Philip Shushkov, Notker Rösch
Journal of Chemical Theory and Computation
|
April 19, 2017
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1-86)
Stefan Grimme, Christoph Bannwarth, Philip Shushkov
The Journal of Chemical Physics
|
December 20, 2012
Ring polymer molecular dynamics with surface hopping
Philip Shushkov, Richard Li, John C Tully
The Journal of Chemical Physics
|
April 4, 2020
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
Xuecheng Tao, Philip Shushkov, Thomas F Miller
The Journal of Physical Chemistry. A
|
February 23, 2019
Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping
Xuecheng Tao, Philip Shushkov, Thomas F Miller
Angewandte Chemie (International Ed. in English)
|
February 3, 2016
Synthesis and Dynamics of Nanosized Phenylene-Ethynylene-Butadiynylene Rotaxanes and the Role of Shape Persistence
Christopher Schweez, Philip Shushkov, Stefan Grimme, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 23, 2024
A novel non-adiabatic spin relaxation mechanism in molecular qubits
Philip Shushkov
The Journal of Chemical Physics
|
June 21, 2013
On the connection of semiclassical instanton theory with Marcus theory for electron transfer in solution
Philip Shushkov
The Journal of Chemical Physics
|
October 10, 2019
Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature
Philip Shushkov, Thomas F Miller
The Journal of Chemical Physics
|
March 17, 2018
Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
Xuecheng Tao, Philip Shushkov, Thomas F Miller
The Journal of Physical Chemistry. A
|
July 11, 2008
Systematic study of the influence of base-step parameters on the electronic coupling between base-pair dimers: comparison of A-DNA and B-DNA forms
Anela Ivanova, Philip Shushkov, Notker Rösch
Journal of Chemical Theory and Computation
|
April 19, 2017
A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1-86)
Stefan Grimme, Christoph Bannwarth, Philip Shushkov
The Journal of Chemical Physics
|
December 20, 2012
Ring polymer molecular dynamics with surface hopping
Philip Shushkov, Richard Li, John C Tully
The Journal of Chemical Physics
|
April 4, 2020
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
Xuecheng Tao, Philip Shushkov, Thomas F Miller
The Journal of Physical Chemistry. A
|
February 23, 2019
Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping
Xuecheng Tao, Philip Shushkov, Thomas F Miller
Angewandte Chemie (International Ed. in English)
|
February 3, 2016
Synthesis and Dynamics of Nanosized Phenylene-Ethynylene-Butadiynylene Rotaxanes and the Role of Shape Persistence
Christopher Schweez, Philip Shushkov, Stefan Grimme, et al.
Page
of 2