Year |
Citation |
Score |
2023 |
Franzke YJ, Holzer C, Andersen JH, Begušić T, Bruder F, Coriani S, Della Sala F, Fabiano E, Fedotov DA, Fürst S, Gillhuber S, Grotjahn R, Kaupp M, Kehry M, Krstić M, ... ... Parker SM, et al. TURBOMOLE: Today and Tomorrow. Journal of Chemical Theory and Computation. PMID 37382508 DOI: 10.1021/acs.jctc.3c00347 |
0.317 |
|
2020 |
Balasubramani SG, Chen GP, Coriani S, Diedenhofen M, Frank MS, Franzke YJ, Furche F, Grotjahn R, Harding ME, Hättig C, Hellweg A, Helmich-Paris B, Holzer C, Huniar U, Kaupp M, ... ... Parker SM, et al. TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107. PMID 32414256 DOI: 10.1063/5.0004635 |
0.334 |
|
2019 |
Parker SM, Roy S, Furche F. Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation. Physical Chemistry Chemical Physics : Pccp. PMID 31465041 DOI: 10.1039/C9Cp03127H |
0.35 |
|
2017 |
Parker SM, Rappoport D, Furche F. Quadratic response properties from TDDFT: trials and tribulations. Journal of Chemical Theory and Computation. PMID 29232511 DOI: 10.1021/Acs.Jctc.7B01008 |
0.335 |
|
2017 |
Muuronen M, Parker SM, Berardo E, Le A, Zwijnenburg MA, Furche F. Mechanism of photocatalytic water oxidation on small TiO2 nanoparticles. Chemical Science. 8: 2179-2183. PMID 28507672 DOI: 10.1039/C6Sc04378J |
0.308 |
|
2016 |
Parker SM, Roy S, Furche F. Unphysical divergences in response theory. The Journal of Chemical Physics. 145: 134105. PMID 27782443 DOI: 10.1063/1.4963749 |
0.304 |
|
2015 |
Kim I, Parker SM, Shiozaki T. Orbital Optimization in the Active Space Decomposition Model. Journal of Chemical Theory and Computation. 11: 3636-42. PMID 26574446 DOI: 10.1021/Acs.Jctc.5B00429 |
0.334 |
|
2014 |
Parker SM, Shiozaki T. Quasi-diabatic States from Active Space Decomposition. Journal of Chemical Theory and Computation. 10: 3738-44. PMID 26588519 DOI: 10.1021/Ct5004753 |
0.338 |
|
2014 |
Parker SM, Smeu M, Franco I, Ratner MA, Seideman T. Molecular junctions: can pulling influence optical controllability? Nano Letters. 14: 4587-91. PMID 25072807 DOI: 10.1021/Nl501629C |
0.483 |
|
2014 |
Parker SM, Seideman T, Ratner MA, Shiozaki T. Model Hamiltonian analysis of singlet fission from first principles Journal of Physical Chemistry C. 118: 12700-12705. DOI: 10.1021/Jp505082A |
0.427 |
|
2013 |
Parker SM, Seideman T, Ratner MA, Shiozaki T. Communication: Active-space decomposition for molecular dimers. The Journal of Chemical Physics. 139: 021108. PMID 23862922 DOI: 10.1063/1.4813827 |
0.421 |
|
2012 |
Parker SM, Ratner MA, Seideman T. Simulating strong field control of axial chirality using optimal control theory Molecular Physics. 110: 1941-1952. DOI: 10.1080/00268976.2012.695808 |
0.455 |
|
2011 |
Parker SM, Ratner MA, Seideman T. Coherent control of molecular torsion. The Journal of Chemical Physics. 135: 224301. PMID 22168688 DOI: 10.1063/1.3663710 |
0.513 |
|
2011 |
Parker SM, Ratner MA, Seideman T. Coherent control of molecular torsion Journal of Chemical Physics. 135. DOI: 10.1063/1.3663710 |
0.481 |
|
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