Philip Shushkov
Title
Cited by
Cited by
Year
A robust and accurate tight-binding quantum chemical method for structures, vibrational frequencies, and noncovalent interactions of large molecular systems parametrized for …
S Grimme, C Bannwarth, P Shushkov
Journal of chemical theory and computation 13 (5), 1989-2009, 2017
2792017
Ring polymer molecular dynamics with surface hopping
P Shushkov, R Li, JC Tully
The Journal of chemical physics 137 (22), 22A549, 2012
782012
Orthogonality constrained density functional theory for electronic excited states
FA Evangelista, P Shushkov, JC Tully
The Journal of Physical Chemistry A 117 (32), 7378-7392, 2013
682013
Resolving the backbone of the Brassicaceae phylogeny for investigating trait diversity
LA Nikolov, P Shushkov, B Nevado, X Gan, IA Al‐Shehbaz, D Filatov, ...
New Phytologist 222 (3), 1638-1651, 2019
232019
Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics
X Tao, P Shushkov, TF Miller III
The Journal of chemical physics 148 (10), 102327, 2018
222018
Synthesis and dynamics of nanosized phenylene–ethynylene–butadiynylene rotaxanes and the role of shape persistence
C Schweez, P Shushkov, S Grimme, S Höger
Angewandte Chemie International Edition 55 (10), 3328-3333, 2016
192016
On the connection of semiclassical instanton theory with Marcus theory for electron transfer in solution
P Shushkov
The Journal of chemical physics 138 (22), 224102, 2013
132013
Mixed time slicing in path integral simulations
RP Steele, J Zwickl, P Shushkov, JC Tully
The Journal of chemical physics 134 (7), 074112, 2011
132011
Simple Flux-Side Formulation of State-Resolved Thermal Reaction Rates for Ring-Polymer Surface Hopping
X Tao, P Shushkov, TF Miller III
The Journal of Physical Chemistry A 123 (13), 3013-3020, 2019
102019
Structural aspects of lipid monolayers: computer simulation analyses
P Shushkov, S Tzvetanov, M Velinova, A Ivanova, A Tadjer
Langmuir 26 (11), 8081-8092, 2010
102010
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
A Ivanova, P Shushkov, N Rösch
The Journal of Physical Chemistry A 112 (30), 7106-7114, 2008
102008
Dielectric properties tangential to the interface in model insoluble monolayers: theoretical assessment
PG Shushkov, SA Tzvetanov, AN Ivanova, AV Tadjer
Langmuir 24 (9), 4615-4624, 2008
72008
Direct dioxygen evolution in collisions of carbon dioxide with surfaces
Y Yao, P Shushkov, TF Miller, KP Giapis
Nature communications 10 (1), 2294, 2019
62019
Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers: size effect
S Tzvetanov, P Shushkov, M Velinova, A Ivanova, A Tadjer
Langmuir 26 (11), 8093-8105, 2010
52010
Systematic Derivation and Testing of AMBER Force Field Parameters for Fatty Ethers from Quantum Mechanical Calculations
M Velinova, Y Tsoneva, P Shushkov, A Ivanova, A Tadjer
Advances in the Theory of Quantum Systems in Chemistry and Physics, 461-480, 2012
42012
Microcanonical rates from ring-polymer molecular dynamics: Direct-shooting, stationary-phase, and maximum-entropy approaches
X Tao, P Shushkov, TF Miller III
The Journal of Chemical Physics 152 (12), 124117, 2020
22020
Real-time density-matrix coupled-cluster approach for closed and open systems at finite temperature
P Shushkov, TF Miller III
The Journal of chemical physics 151 (13), 134107, 2019
22019
State-resolved thermal reaction rate from ring-polymer surface hopping
X Tao, P Shushkov, T Miller
APS 2019, E32. 005, 2019
2019
Non-adiabatic molecular dynamics of carbon dioxide at metal surfaces
P Shushkov, Y Yao, K Giapis, T Miller
APS 2018, R03. 006, 2018
2018
sTDA
S Grimme, C Bannwarth, P Shushkov, M de Wergifosse
2014
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Articles 1–20