화학공학소재연구정보센터
검색결과 : 41건
No. Article
1 Density-Dependent Onset of the Long-Range Exchange: A Key to Donor-Acceptor Properties
Modrzejewski M, Rajchel L, Chalasinski G, Szczesniak MM
Journal of Physical Chemistry A, 117(45), 11580, 2013
2 Derivation of the supermolecular interaction energy from the monomer densities in the density functional theory
Rajchel L, Zuchowski PS, Szczesniak MM, Chalasinski G
Chemical Physics Letters, 486(4-6), 160, 2010
3 Study of ArO- and ArO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and Ab Initio Calculations
Garand E, Buchachenko AA, Yacovitch TI, Szczesniak MM, Chalasinski G, Neumark DM
Journal of Physical Chemistry A, 113(16), 4631, 2009
4 Study of KrO- and KrO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and ab Initio Calculations
Garand E, Buchachenko AA, Yacovitch TI, Szczesniak MM, Chalasinski G, Neumark DM
Journal of Physical Chemistry A, 113(52), 14439, 2009
5 Interactions in open-shell clusters: Ab initio study of pre-reactive complex O(P-3)+HCl
Rode JE, Klos J, Rajchel L, Szczesniak MM, Chalasinski G, Buchachenko AA
Journal of Physical Chemistry A, 109(50), 11484, 2005
6 Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: Application to (HF)(n) (n=3,4)
Salvador P, Szczesniak MM
Journal of Chemical Physics, 118(2), 537, 2003
7 Modeling of the three-body effects in the Ar2O- trimer from ab initio calculations
Jakowski J, Chalasinski G, Cybulski SM, Szczesniak MM
Journal of Chemical Physics, 118(6), 2731, 2003
8 Characterization of ArnO- clusters from ab initio and diffusion Monte Carlo calculations
Jakowski J, Chalasinski G, Gallegos J, Severson MW, Szczesniak MM
Journal of Chemical Physics, 118(6), 2748, 2003
9 Ab initio potential energy and dipole moment surfaces, infrared spectra, and vibrational predissociation dynamics of the Cl-35(-)center dot center dot center dot H-2/D-2 complexes
Buchachenko AA, Grinev TA, Klos J, Bieske EJ, Szczesniak MM, Chalasinski G
Journal of Chemical Physics, 119(24), 12931, 2003
10 Dynamics of O(P-3(j))+Rg collisions on ab initio and scattering potentials
Krems RV, Buchachenko AA, Szczesniak MM, Klos J, Chalasinski G
Journal of Chemical Physics, 116(4), 1457, 2002