화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Computing the position-spread tensor in the CAS-SCF formalism II: Spin partition
Huran AW, Leininger T, Bendazzoli GL, Evangelisti S
Chemical Physics Letters, 664, 120, 2016
2 The Spin-Partitioned Total-Position Spread Tensor: An Application To Diatomic Molecules
Brea O, El Khatib M, Bendazzoli GL, Evangelisti S, Leininger T, Angeli C
Journal of Physical Chemistry A, 120(27), 5230, 2016
3 Computing the Position-Spread tensor in the CAS-SCF formalism
El Khatib M, Leininger T, Bendazzoli GL, Evangelisti S
Chemical Physics Letters, 591, 58, 2014
4 Beryllium Dimer: A Bond Based on Non-Dynamical Correlation
El Khatib M, Bendazzoli GL, Evangelisti S, Helal W, Leininger T, Tenti L, Angeli C
Journal of Physical Chemistry A, 118(33), 6664, 2014
5 Surprising Electronic Structure of the BeH- Dimer: a Full-Configuration-Interaction Study
Verdicchio M, Bendazzoli GL, Evangelisti S, Leininger T
Journal of Physical Chemistry A, 117(1), 192, 2013
6 Beryllium chains interacting with Graphene Nanoislands: From anti-ferromagnetic to ferromagnetic ground state
Evangelisti S, Monari A, Leininger T, Bendazzoli GL
Chemical Physics Letters, 496(4-6), 306, 2010
7 CI calculations of long-range C-6 dispersion coefficients for BH-BH
Bendazzoli GL, Monari A, Figari G, Rui M, Costa C, Magnasco V
Chemical Physics Letters, 450(4-6), 396, 2008
8 End states and singlet-triplet degeneracy in linear atomic chains
Monari A, Vetere V, Bendazzoli GL, Evangelisti S, Paulus B
Chemical Physics Letters, 465(1-3), 102, 2008
9 Frozen-core full-CI calculation of imaginary frequency-dependent dipole polarizabilities of ground state BeH2 and the C-6 dispersion coefficients of its homodimer
Bendazzoli GL, Monari A, Figari G, Rui M, Costa C, Magnasco V
Chemical Physics Letters, 414(1-3), 51, 2005
10 Full configuration interaction calculation of Be-3
Junquera-Hernandez JM, Sanchez-Marin J, Bendazzoli GL, Evangelisti S
Journal of Chemical Physics, 120(18), 8405, 2004