검색결과 : 21건
| No. | Article |
|---|---|
| 1 |
Gauging Molecular Orientation through Time Domain Simulations of Surface-Enhanced Raman Scattering Apra E, Bhattarai A, El-Khoury PZ Journal of Physical Chemistry A, 123(32), 7142, 2019 |
| 2 |
Time Domain Simulations of Single Molecule Raman Scattering Apra E, Bhattarai A, Crampton KT, Bylaska EJ, Govind N, Hess WP, El-Khoury PZ Journal of Physical Chemistry A, 122(37), 7437, 2018 |
| 3 |
Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single-Walled Carbon Nanotubes Peng B, Govind N, Apra E, Klemm M, Hammond JR, Kowalski K Journal of Physical Chemistry A, 121(6), 1328, 2017 |
| 4 |
Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab lnitio Molecular Dynamics Simulations Fischer SA, Apra E, Govind N, Hess WP, El-Khoury PZ Journal of Physical Chemistry A, 121(6), 1344, 2017 |
| 5 |
Electronic Structure and Stability of [B12X12](2-) (X = F-At): A Combined Photoelectron Spectroscopic and Theoretical Study Warneke J, Hou GL, Apra E, Jenne C, Yang Z, Qin ZB, Kowalski K, Wang XB, Xantheas SS Journal of the American Chemical Society, 139(41), 14749, 2017 |
| 6 |
Theoretical studies of the global minima and polarizabilities of small lithium clusters Hu HS, Zhao YF, Hammond JR, Bylaska EJ, Apra E, van Dam HJJ, Li J, Govind N, Kowalski K Chemical Physics Letters, 644, 235, 2016 |
| 7 |
Time-Domain Simulations of Transient Species in Experimentally Relevant Environments Ueltschi TW, Fischer SA, Apra E, Tarnovsky AN, Govind N, El-Khoury PZ, Hess WP Journal of Physical Chemistry A, 120(4), 556, 2016 |
| 8 |
Benchmark Theoretical Study of the pi-pi Binding Energy in the Benzene Dimer Miliordos E, Apra E, Xantheas SS Journal of Physical Chemistry A, 118(35), 7568, 2014 |
| 9 |
Toward Enabling Large-Scale Open-Shell Equation-of-Motion Coupled Cluster Calculations: Triplet States of beta-Carotene Hu HS, Bhaskaran-Nair K, Apra E, Govind N, Kowalski K Journal of Physical Chemistry A, 118(39), 9087, 2014 |
| 10 |
Theory of zwitterionic molecular-based organic magnets Shelton WA, Apra E, Sumpter BG, Saraiva-Souza A, Souza AG, Del Nero J, Meunier V Chemical Physics Letters, 511(4-6), 294, 2011 |