검색결과 : 66건
| No. | Article |
|---|---|
| 1 |
Low-rank factorization of electron integral tensors and its application in electronic structure theory Peng B, Kowalski K Chemical Physics Letters, 672, 47, 2017 |
| 2 |
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 |
| 3 |
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 |
| 4 |
Sn and Cu oxide nanoparticles deposited on TiO2 nanoflower 3D substrates by Inert Gas Condensation technique Kusior A, Kollbek K, Kowalski K, Borysiewicz M, Wojciechowski T, Adamczyk A, Trenczek-Zajac A, Radecka M, Zakrzewska K Applied Surface Science, 380, 193, 2016 |
| 5 |
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 |
| 6 |
Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes Bhaskaran-Nair K, Kowalski K, Jarrell M, Moreno J, Shelton WA Chemical Physics Letters, 641, 146, 2015 |
| 7 |
Fluorescence of PRODAN in water: A computational QM/MM MD study Pederzoli M, Sobek L, Brabec J, Kowalski K, Cwiklik L, Pittner J Chemical Physics Letters, 597, 57, 2014 |
| 8 |
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 |
| 9 |
Lattice and Grain-Boundary Diffusion of Al in Tetragonal Yttria-Stabilized Zirconia Polycrystalline Ceramics (3Y-TZP) Analyzed Using SIMS Kowalski K, Obal K, Pedzich Z, Schneider K, Rekas M Journal of the American Ceramic Society, 97(10), 3122, 2014 |
| 10 |
Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes Brabec J, Bhaskaran-Nair K, Kowalski K, Pittner J, van Dam HJJ Chemical Physics Letters, 542, 128, 2012 |