검색결과 : 27건
| No. | Article |
|---|---|
| 1 |
Structures and Energetics of Neutral and Cationic Pyrene Clusters Dontot L, Spiegelman F, Rapacioli M Journal of Physical Chemistry A, 123(44), 9531, 2019 |
| 2 |
Melting of the Au-20 Gold Cluster: Does Charge Matter? Rapacioli M, Tarrat N, Spiegelman F Journal of Physical Chemistry A, 122(16), 4092, 2018 |
| 3 |
Molecular Dynamics Study of the Collision-Induced Reaction of H with CO on Small Water Clusters Korchagina KA, Spiegelman F, Cuny J Journal of Physical Chemistry A, 121(49), 9485, 2017 |
| 4 |
Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk Oliveira LFL, Tarrat N, Cuny J, Morillo J, Lemoine D, Spiegelman F, Rapacioli M Journal of Physical Chemistry A, 120(42), 8469, 2016 |
| 5 |
Structural Characterization of Sulfur-Containing Water Clusters Using a Density-Functional Based Tight-Binding Approach Korchagina KA, Simon A, Rapacioli M, Spiegelman F, Cuny J Journal of Physical Chemistry A, 120(45), 9089, 2016 |
| 6 |
Cationic Methylene-Pyrene Isomers and Isomerization Pathways: Finite Temperature Theoretical Studies Rapacioli M, Simon A, Marshall CCM, Cuny J, Kokkin D, Spiegelman F, Jobin C Journal of Physical Chemistry A, 119(51), 12845, 2015 |
| 7 |
Water Clusters in an Argon Matrix: Infrared Spectra from Molecular Dynamics Simulations with a Self-Consistent Charge Density Functional-Based Tight Binding/Force-Field Potential Simon A, Iftner C, Mascetti J, Spiegelman F Journal of Physical Chemistry A, 119(11), 2449, 2015 |
| 8 |
Relaxation Dynamics of Photoexcited Calcium Deposited on Argon Clusters: Theoretical Simulation of Time-Resolved Photoelectron Spectra Heitz MC, Teixidor L, Van-Oanh NT, Spiegelman F Journal of Physical Chemistry A, 114(9), 3287, 2010 |
| 9 |
Molecular Dynamics Simulations of Anharmonic Infrared Spectra of [SiPAH](+) pi-Complexes Joalland B, Rapacioli M, Simon A, Joblin C, Marsden CJ, Spiegelman F Journal of Physical Chemistry A, 114(18), 5846, 2010 |
| 10 |
Evidence for a non-Rydberg molecular doubly excited state of Ca-2 Gaveau MA, Mestdagh JM, Bouissou T, Durand G, Heitz MC, Spiegelman F Chemical Physics Letters, 467(4-6), 260, 2009 |