검색결과 : 34건
| No. | Article |
|---|---|
| 1 |
Real-Time Time-Dependent Electronic Structure Theory Li XS, Govind N, Isborn C, DePrince AE, Lopata K Chemical Reviews, 120(18), 9951, 2020 |
| 2 |
Probing Sulfur Chemical and Electronic Structure with Experimental Observation and Quantitative Theoretical Prediction of K alpha and Valence-to-Core K beta X-ray Emission Spectroscopy Holden WM, Jahrman EP, Govind N, Seidler GT Journal of Physical Chemistry A, 124(26), 5415, 2020 |
| 3 |
Carbon-supported Pt during aqueous phenol hydrogenation with and without applied electrical potential: X-ray absorption and theoretical studies of structure and adsorbates Singh N, Nguyen MT, Cantu DC, Mehdi BL, Browning ND, Fulton JL, Zheng J, Balasubramanian M, Gutierrez OY, Glezakou VA, Rousseau R, Govind N, Camaioni DM, Campbell CT, Lercher JA Journal of Catalysis, 368, 8, 2018 |
| 4 |
Deviation from the trans-Effect in Ligand-Exchange Reactions of Zeise's Ions PtCl3(C2H4)(-) with Heavier Halides (Br-, I-) Hou GL, Govind N, Xantheas SS, Wang XB Journal of Physical Chemistry A, 122(5), 1209, 2018 |
| 5 |
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 |
| 6 |
Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths Ross M, Andersen A, Fox ZW, Zhang Y, Hong K, Lee JH, Cordones A, March AM, Doumy G, Southworth SH, Marcus MA, Schoenlein RW, Mukamel S, Govind N, Khalil M Journal of Physical Chemistry B, 122(19), 5075, 2018 |
| 7 |
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 |
| 8 |
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 |
| 9 |
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 |
| 10 |
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 |