검색결과 : 109건
| No. | Article |
|---|---|
| 1 |
Autobiography of Paul Geerlings Geerlings P Journal of Physical Chemistry A, 124(18), 3503, 2020 |
| 2 |
How Do Local Reactivity Descriptors Shape the Potential Energy Surface Associated with Chemical Reactions? The Valence Bond Delocalization Perspective Stuyver T, De Proft F, Geerlings P, Shaik S Journal of the American Chemical Society, 142(22), 10102, 2020 |
| 3 |
Do Diradicals Behave Like Radicals? Stuyver T, Chen B, Zeng T, Geerlings P, De Proft F, Hoffinann R Chemical Reviews, 119(21), 11291, 2019 |
| 4 |
Conductance Switching in Expanded Porphyrins through Aromaticity and Topology Changes Stuyver T, Perrin M, Geerlings P, De Proft F, Alonso M Journal of the American Chemical Society, 140(4), 1313, 2018 |
| 5 |
The relation between delocalization, long bond order structure count and transmission: An application to molecular wires Stuyver T, Fias S, De Proft F, Geerlings P Chemical Physics Letters, 630, 51, 2015 |
| 6 |
The Noble Gases: How Their Electronegativity and Hardness Determines Their Chemistry Furtado J, De Proft F, Geerlings P Journal of Physical Chemistry A, 119(8), 1339, 2015 |
| 7 |
Out-of-plane shear and out-of plane Young's modulus of double-layer graphene Hajgato B, Guryel S, Dauphin Y, Blairon JM, Miltner HE, Van Lier G, De Proft F, Geerlings P Chemical Physics Letters, 564, 37, 2013 |
| 8 |
Analysis of Aromaticity in Planar Metal Systems using the Linear Response Kernel. Fias S, Boisdenghien Z, Stuyver T, Audiffred M, Merino G, Geerlings P, de Proft F Journal of Physical Chemistry A, 117(16), 3556, 2013 |
| 9 |
Electron-Attachment-Induced DNA Damage: Instantaneous Strand Breaks Cauet E, Bogatko S, Lievin J, De Proft F, Geerlings P Journal of Physical Chemistry B, 117(33), 9669, 2013 |
| 10 |
Theoretical Study of the Regioselectivity of the Interaction of 3-Methyl-4-pyrimidone and 1-Methyl-2-pyrimidone with Lewis Acids Kasende OE, Muya JT, Broeckaert L, Maes G, Geerlings P Journal of Physical Chemistry A, 116(33), 8608, 2012 |