검색결과 : 25건
| No. | Article |
|---|---|
| 1 |
The Electronic Structure of Beryllium Chains Huran AW, Ben Amor N, Evangelisti S, Hoyau S, Leininger T, Brumas V Journal of Physical Chemistry A, 122(24), 5321, 2018 |
| 2 |
Increasing Radical Character of Large [n]cyclacenes Unveiled by Wave Function Theory Battaglia S, Faginas-Lago N, Andrae D, Evangelisti S, Leininger T Journal of Physical Chemistry A, 121(19), 3746, 2017 |
| 3 |
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 |
| 4 |
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 |
| 5 |
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 |
| 6 |
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 |
| 7 |
A FCI benchmark on beryllium dimer: The lowest singlet and triplet states Helal W, Evangelisti S, Leininger T, Monari A Chemical Physics Letters, 568, 49, 2013 |
| 8 |
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 |
| 9 |
Coupled-Cluster study of'no-pair' bonding in the tetrahedral Cu-4 cluster Verdicchio M, Evangelisti S, Leininger T, Sanchez-Marin J, Monari A Chemical Physics Letters, 503(4-6), 215, 2011 |
| 10 |
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 |