검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
A Simplified Spin-Flip Time-Dependent Density Functional Theory Approach for the Electronic Excitation Spectra of Very Large Diradicals de Wergifosse M, Bannwarth C, Grimme S Journal of Physical Chemistry A, 123(27), 5815, 2019 |
| 2 |
Catalytic deracemization of chiral allenes by sensitized excitation with visible light Holzl-Hobmeier A, Bauer A, Silva AV, Huber SM, Bannwarth C, Bach T Nature, 564(7735), 240, 2018 |
| 3 |
Biomolecular Structure Information from High-Speed Quantum Mechanical Electronic Spectra Calculation Seibert J, Bannwarth C, Grimme S Journal of the American Chemical Society, 139(34), 11682, 2017 |
| 4 |
Dispersion-Corrected Mean-Field Electronic Structure Methods Grimme S, Hansen A, Brandenburg JG, Bannwarth C Chemical Reviews, 116(9), 5105, 2016 |
| 5 |
Electronic Circular Dichroism of Highly Conjugated pi-Systems: Breakdown of the Tamm-Dancoff/Configuration Interaction Singles Approximation Bannwarth C, Grimme S Journal of Physical Chemistry A, 119(15), 3653, 2015 |