Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory
- M. Micciarelli
- Basile F. E. Curchod
- et al.
- 2017
- Journal of Physical Chemistry A
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Challenges in the Use of Quantum Computing Hardware-Efficient Ansätze in Electronic Structure Theory
- Ruhee D’Cunha
- T. Daniel Crawford
- et al.
- 2023
- Journal of Physical Chemistry A
N-Electron Valence Perturbation Theory with Reference Wave Functions from Quantum Computing: Application to the Relative Stability of Hydroxide Anion and Hydroxyl Radical
- Alessandro Tammaro
- Davide E. Galli
- et al.
- 2023
- Journal of Physical Chemistry A
Hebbian Learning on Small Data Enables Experimental Discovery of High TgPolyimides
- Joseph M. Dennis
- Dmitry Yu. Zubarev
- 2021
- Journal of Physical Chemistry A
Computational investigations of the lithium superoxide dimer rearrangement on noisy quantum devices
- Qi Gao
- Jeannette M. Garcia
- et al.
- 2021
- Journal of Physical Chemistry A
Proton Collision on Deoxyribose Originating from Doubly Ionized Water Molecule Dissociation
- Marie-Anne Hervé Du Penhoat
- Nely Rodrĺguez Moraga
- et al.
- 2018
- Journal of Physical Chemistry A
Mechanisms of organocatalytic amidation and trans-esterification of aromatic esters as a model for the depolymerization of poly(ethylene) terephthalate
- Hans W. Horn
- Gavin O. Jones
- et al.
- 2012
- Journal of Physical Chemistry A
Fluorescence-detected x-ray magnetic circular dichroism of well-defined MnII and NiII doped in MgO crystals: Credential evaluation for measurements on biological samples
- Hongxin Wang
- Craig Bryant
- et al.
- 2012
- Journal of Physical Chemistry A
Mechanisms of propylene glycol and triacetin pyrolysis
- Teodoro Laino
- Christian Tuma
- et al.
- 2012
- Journal of Physical Chemistry A
Speciation, luminescence, and alkaline fluorescence quenching of 4-(2-methylbutyl)aminodipicolinic acid (h 2mebadpa)
- Andrew J. Ingram
- Alexander G. Dunlap
- et al.
- 2011
- Journal of Physical Chemistry A