검색결과 : 4건
| No. | Article |
|---|---|
| 1 |
Excited State Studies of Polyacenes Using the All-Order Constricted Variational Density Functional Theory with Orbital Relaxation Senn F, Krykunov M Journal of Physical Chemistry A, 119(42), 10575, 2015 |
| 2 |
Applications of Time-Dependent and Time-Independent Density Functional Theory to Rydberg Transitions Seidu I, Krykunov M, Ziegler T Journal of Physical Chemistry A, 119(21), 5107, 2015 |
| 3 |
Implementation of a Hybrid DFT Method for Calculating NMR Shieldings Using Slater-Type Orbitals with Spin-Orbital Coupling Included. Applications to (OS)-O-187, Pt-195, and C-13 in Heavy-Metal Complexes Krykunov M, Ziegler T, van Lenthe E Journal of Physical Chemistry A, 113(43), 11495, 2009 |
| 4 |
Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules Autschbach J, Jensen L, Schatz GC, Tse YCE, Krykunov M Journal of Physical Chemistry A, 110(7), 2461, 2006 |