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The Journal of Chemical Physics|July 8, 2022
Bonding in nitrile photo-dissociating ruthenium drug candidates-A local vibrational mode studyMargaret McCutcheon, Marek Freindorf, Elfi Kraka
The Journal of Chemical Physics|May 24, 2019
Surface solvation and hindered isomerization at the water/silica interface explored with second harmonic generationGrace E Purnell, Robert A Walker
The Journal of Chemical Physics|May 24, 2019
Linear and quadratic internally contracted multireference coupled-cluster approximationsJoshua A Black, Andreas Köhn
The Journal of Chemical Physics|May 24, 2019
Absolute cross sections for chemoradiation therapy: Damages to cisplatin-DNA complexes induced by 10 eV electronsLimei Zhou, Wenhui Liu, Nicolas Brodeur, et al.
The Journal of Chemical Physics|May 24, 2019
Calculating free energies from the vibrational density of states function: Validation and critical assessmentLaurens D M Peters, Johannes C B Dietschreit, Jörg Kussmann, et al.
The Journal of Chemical Physics|May 24, 2019
Reorientation-induced Stokes shifts caused by directional interactions in electronic spectroscopy: Fast dynamics of poly(methyl methacrylate)Joseph E Thomaz, Patrick L Kramer, Sebastian M Fica-Contreras, et al.
The Journal of Chemical Physics|May 24, 2019
The ionic states of cyclooctatetraene: Analysis of a new experimental photoelectron spectrum by ab initio and density functional methodsMichael H Palmer, Marcello Coreno, Monica de Simone, et al.
The Journal of Chemical Physics|October 9, 2021
A bosonic perspective on the classical mapping of fermionic quantum dynamicsJing Sun, Sudip Sasmal, Oriol Vendrell
The Journal of Chemical Physics|October 9, 2021
Efficient quantum dynamics simulations of complex molecular systems: A unified treatment of dynamic and static disorderMaxim F Gelin, Amalia Velardo, Raffaele Borrelli
The Journal of Chemical Physics|October 9, 2021
Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvaluesSteffen Fauser, Egor Trushin, Christian Neiss, et al.
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