Journal articles
-
S. M. Parker,
S. Roy,
F. Furche,
Physical Chemistry Chemical Physics,
21,
18999-19010
(2019)
doi: 10.1039/C9CP03127H
"Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation"
-
M. Kubota,
S. Nainar,
S. M. Parker,
W. England,
F. Furche,
R. Spitale,
ACS Chemical Biology,
14,
1698-1707
(2019)
doi: 10.1021/acschembio.9b00079
"Expanding the Scope of RNA Metabolic Labeling with Vinyl Nucleosides and Inverse Electron-Demand Diels-Alder Chemistry"
-
S. M. Parker,
D. Rappoport,
F. Furche,
Journal of Chemical Theory and Computation,
14,
807-819
(2018)
doi: 10.1021/acs.jctc.7b01008
"Quadratic response properties from TDDFT: trials and tribulations"
-
M. Muuronen,
S. M. Parker,
E. Berardo,
A. Le,
M. Zwijnenburg,
F. Furche,
Chemical Science,
8,
2179-2183
(2017)
doi: 10.1039/C6SC04378J
"Mechanism of Photocatalytic Water Oxidation on Small TiO2 Nanoparticles"
-
S. M. Parker,
S. Roy,
and F. Furche,
The Journal of Chemical Physics,
145,
134105
(2016)
doi: 10.1063/1.4963749
"Unphysical divergences in response theory"
-
V. A. Nasluzov,
S. M. Parker,
A. Genest,
A. M. Shor,
E. A. Ivanova-Shor,
N. Rösch,
Kinetics and Catalysis,
56,
631
(2015)
doi: 10.1134/S0023158415050134
"Trinuclear tantalum clusters grafted to hydroxylated silica surfaces: A density-functional embedded-cluster study"
-
I. Kim,
S. M. Parker,
T. Shiozaki,
Journal of Chemical Theory and Computation,
11,
3636
(2015)
doi: 10.1021/acs.jctc.5b00429
"Orbital Optimization in the Active Space Decomposition Model"
-
S. M. Parker,
T. Shiozaki,
The Journal of Chemical Physics,
141,
211102
(2014)
doi: 10.1063/1.4902991
"Active space Decomposition with multiple sites: Density matrix renormalization group algorithm"
-
S. M. Parker,
M. Smeu,
I. Franco,
M. A. Ratner,
T. Seideman,
Nano Letters,
14,
4587
(2014)
doi: 10.1021/nl501629c
"Molecular Junctions: Can Pulling Influence Optical Controllability"
-
S. M. Parker,
T. Shiozaki,
Journal of Chemical Theory and Computation,
10,
3738
(2014)
doi: 10.1021/ct5004753
"Quasi-diabatic states from active space decomposition"
-
S. M. Parker,
T. Seideman,
M. A. Ratner,
T. Shiozaki,
Journal of Physical Chemistry C,
118,
12700
(2014)
doi: 10.1021/jp505082a
"Model Hamiltonian analysis of singlet fission from first principles"
-
S. M. Parker,
T. Seideman,
M. A. Ratner,
T. Shiozaki,
The Journal of Chemical Physics,
139,
021108
(2013)
doi: 10.1063/1.4813827
"Active-space decomposition for molecular dimers"
-
Y. Wu,
V. A. Karttunen,
S. M. Parker,
A. Genest,
N. Rösch,
Organometallics,
32,
2363
(2013)
doi: 10.1021/om301236n
"Olefin Hydrosilylation Catalyzed by a Bis-N-Heterocyclic Carbene Rhodium Complex. A Density Functional Theory Study"
-
S. M. Parker,
M. A. Ratner,
T. Seideman,
Molecular Physics,
110,
1941
(2012)
doi: 10.1080/00268976.2012.695808
"Simulating strong field control of axial chirality using optimal control theory"
-
S. M. Parker,
M. A. Ratner,
T. Seideman,
The Journal of Chemical Physics,
135,
224301
(2011)
doi: 10.1063/1.3663710
"Coherent control of molecular torsion"
Book chapters
-
S. M. Parker,
F. Furche,
69-86, (2018), doi: 10.1007/978-981-10-5651-2_4
"Response theory and molecular properties"
in
Frontiers in Quantum Chemistry, edited by M. J. Wójcik, H. Nakatsuji, B. Kirtman, Y. Ozaki, Springer Singapore