검색결과 : 71건
| No. | Article |
|---|---|
| 1 |
Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide Klinting EL, Christiansen O, Konig C Journal of Physical Chemistry A, 124(13), 2616, 2020 |
| 2 |
Assessment of the overlap metric in the context of RI-MP2 and atomic batched tensor decomposed MP2 Schmitz G, Christiansen O Chemical Physics Letters, 701, 7, 2018 |
| 3 |
Hybrid Optimized and Localized Vibrational Coordinates Klinting EL, Konig C, Christiansen O Journal of Physical Chemistry A, 119(44), 11007, 2015 |
| 4 |
A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations Thomsen B, Yagi K, Christiansen O Chemical Physics Letters, 610, 288, 2014 |
| 5 |
Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H2O) complex Toffoli D, Sparta M, Christiansen O Chemical Physics Letters, 510(1-3), 36, 2011 |
| 6 |
Vibrational effects in the parity-violating contributions to the isotropic nuclear magnetic resonance chemical shift Weijo V, Hansen MB, Christiansen O, Manninen P Chemical Physics Letters, 470(4-6), 166, 2009 |
| 7 |
Linear response coupled cluster study of the benzene excimer Rocha-Rinza T, Christiansen O Chemical Physics Letters, 482(1-3), 44, 2009 |
| 8 |
On the coupling strength in potential energy surfaces for vibrational calculations Seidler P, Kaga T, Yagi K, Christiansen O, Hirao K Chemical Physics Letters, 483(1-3), 138, 2009 |
| 9 |
Potential Energy Surfaces for Vibrational Structure Calculations from a Multiresolution Adaptive Density-Guided Approach: Implementation and Test Calculations Sparta M, Hoyvik IM, Toffoli D, Christiansen O Journal of Physical Chemistry A, 113(30), 8712, 2009 |
| 10 |
Gas Phase Absorption Studies of Photoactive Yellow Protein Chromophore Derivatives Rocha-Rinza T, Christiansen O, Rajput J, Gopalan A, Rahbek DB, Andersen LH, Bochenkova AV, Granovsky AA, Bravaya KB, Nemukhin AV, Christiansen KL, Nielsen MB Journal of Physical Chemistry A, 113(34), 9442, 2009 |