검색결과 : 27건
| No. | Article |
|---|---|
| 1 |
Modeling Rayleigh Scattering of Aerosol Particles Harczuk I, Vahtras O, Agren H Journal of Physical Chemistry B, 120(18), 4296, 2016 |
| 2 |
Quantum Mechanics/Molecular Mechanics Modeling of Photoelectron Spectra: The Carbon 1s Core-Electron Binding Energies of Ethanol-Water Solutions Loytynoja T, Niskanen J, Jankala K, Vahtras O, Rinkevicius Z, Agren H Journal of Physical Chemistry B, 118(46), 13217, 2014 |
| 3 |
Theoretical Study of Specific Solvent Effects on the Optical and Magnetic Properties of Copper(II) Acetylacetonate de Almeida KJ, Ramalho TC, Rinkevicius Z, Vahtras O, Agren H, Cesar A Journal of Physical Chemistry A, 115(8), 1331, 2011 |
| 4 |
Modelling the visible absorption spectra of copper(II) acetylacetonate by Density Functional Theory de Almeida KJ, Cesar A, Rinkevicius Z, Vahtras O, Agren H Chemical Physics Letters, 492(1-3), 14, 2010 |
| 5 |
Core electron chemical shifts of hydrogen-bonded structures Tu G, Tu Y, Vahtras O, Agren H Chemical Physics Letters, 468(4-6), 294, 2009 |
| 6 |
Electronic g-tensors of solvated molecules using the polarizable continuum model Rinkevicius Z, Telyatnyk L, Vahtras O, Ruud K Journal of Chemical Physics, 121(11), 5051, 2004 |
| 7 |
Density functional theory for hyperfine coupling constants with the restricted-unrestricted approach Rinkevicius Z, Telyatnyk L, Vahtras O, Agren H Journal of Chemical Physics, 121(16), 7614, 2004 |
| 8 |
Influence of hydrogen bonding in the paramagnetic NMR shieldings of nitronylnitroxide derivative molecules Telyatnyk L, Vaara J, Rinkevicius Z, Vahtras O Journal of Physical Chemistry B, 108(4), 1197, 2004 |
| 9 |
Sternheimer shieldings and EFG polarizabilities: a density-functional theory study Rizzo A, Ruud K, Helgaker T, Salek P, Agren H, Vahtras O Chemical Physics Letters, 372(3-4), 377, 2003 |
| 10 |
Calculations of two-photon absorption cross sections by means of density-functional theory Salek P, Vahtras O, Guo JD, Luo Y, Helgaker T, Agren H Chemical Physics Letters, 374(5-6), 446, 2003 |