화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Intersystem Crossing and Characterization of Dark States in the Pyrimidine Nucleobases Uracil, Thymine, and 1-Methylthymine
Etinski M, Fleig T, Marian CA
Journal of Physical Chemistry A, 113(43), 11809, 2009
2 Four-Component Relativistic Coupled Cluster and Configuration Interaction Calculations on the Ground and Excited States of the RbYb Molecule
Sorensen LK, Knecht S, Fleig T, Marian CM
Journal of Physical Chemistry A, 113(45), 12607, 2009
3 Instability of the Al-4(2-) "All-Metal aromatic" ion and its implications
Lambrecht DS, Fleig T, Sommerfeld T
Journal of Physical Chemistry A, 112(13), 2855, 2008
4 Reply to "Comment on'Instability of the Al-4(2-)'All-Metal Aromatic' Ion and Its Implications"'
Lambrecht DS, Fleig T, Sommerfeld T
Journal of Physical Chemistry A, 112(34), 7986, 2008
5 Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid bases at the coupled cluster CC2 level
Fleig T, Knecht S, Hattig C
Journal of Physical Chemistry A, 111(25), 5482, 2007
6 The generalized active space concept for the relativistic treatment of electron correlation. II. Large-scale configuration interaction implementation based on relativistic 2- and 4-spinors and its application
Fleig T, Olsen J, Visscher L
Journal of Chemical Physics, 119(6), 2963, 2003
7 The generalized active space concept for the relativistic treatment of electron correlation. I. Kramers-restricted two-component configuration interaction
Fleig T, Olsen J, Marian CM
Journal of Chemical Physics, 114(11), 4775, 2001
8 Relativistic ab-initio calculations on PdH and PdD: The rovibronic spectra and rotational splittings
Fleig T, Marian CM
Journal of Chemical Physics, 108(9), 3517, 1998