| 1 |
Systematic Study of the Properties of CdS Clusters with Carboxylate Ligands Using a Deep Neural Network Potential Developed with Data from Density Functional Theory Calculations
Nguyen KA, Pachter R, Day PN
Journal of Physical Chemistry A, 124(50), 10472, 2020 |
| 2 |
Theoretical Prediction of Optical Absorption and Emission in Thiolated Gold Clusters
Day PN, Pachter R, Nguyen KA, Jin RC
Journal of Physical Chemistry A, 123(30), 6472, 2019 |
| 3 |
Theoretical Analysis of Optical Absorption and Emission in Mixed Noble Metal Nanoclusters
Day PN, Pachter R, Nguyen KA
Journal of Physical Chemistry A, 122(16), 4058, 2018 |
| 4 |
Systematic Study of Structure, Stability, and Electronic Absorption of Tetrahedral CdSe Clusters with Carboxylate and Amine Ligands
Nguyen KA, Pachter R, Jiang J, Day PN
Journal of Physical Chemistry A, 122(33), 6704, 2018 |
| 5 |
Coupling Drosophila melanogaster Cryptochrome Light Activation and Oxidation of the Kv beta Subunit Hyperkinetic NADPH Cofactor
Hong GY, Pachter R, Ritz T
Journal of Physical Chemistry B, 122(25), 6503, 2018 |
| 6 |
A Theoretical Investigation of the Structure and Optical Properties of a Silver Cluster in Solid Form and in Solution
Day PN, Pachter R, Nguyen KA
Journal of Physical Chemistry A, 121(1), 326, 2017 |
| 7 |
Calculations of One- and Two-Photon Absorption Spectra for Molecular Metal Chalcogenide Clusters with Electron-Acceptor Ligands
Nguyen KA, Pachter R, Day PN
Journal of Physical Chemistry A, 121(8), 1749, 2017 |
| 8 |
Defect-induced Raman spectroscopy in single-layer graphene with boron and nitrogen substitutional defects by theoretical investigation
Jiang J, Pachter R, Islam AE, Maruyama B, Boeckl JJ
Chemical Physics Letters, 663, 79, 2016 |
| 9 |
Linear and Nonlinear Optical Response in Silver Nanoclusters: Insight from a Computational Investigation
Day PN, Pachter R, Nguyen KA, Bigioni TP
Journal of Physical Chemistry A, 120(4), 507, 2016 |
| 10 |
Bound Flavin-Cytochrome Model of Extracellular Electron Transfer in Shewanella oneidensis: Analysis by Free Energy Molecular Dynamics Simulations
Hong GY, Pachter R
Journal of Physical Chemistry B, 120(25), 5617, 2016 |
