Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 5929-5940 of 9,538
Calculation of core-excited and core-ionized states using variational quantum deflation method and applications to photocatalyst modelling
Soichi Shirai, Takahiro Horiba, Hirotoshi Hirai
Can Traditional Terrestrial Applications of Gravity Gradiometry Rely Upon Quantum Technologies ? A Side View
Alexey V. Veryaskin, Michael E. Tobar
Carbazochrome carbon nanotube as drug delivery nanocarrier for anti-bleeding drug: quantum chemical study
Hakan S. Sayiner, Fatma Kandemirli, Serap Senturk Dalgic, Majid Monajjemi, Fatemeh Mollaamin
Carbon monoxide gas sensor based on an <i>α</i> -Fe <sub>2</sub> O <sub>3</sub> /reduced graphene oxide quantum dots composite film integrated Michelson interferometer
Sijie He, Yushan Liu, Wenlin Feng, Bangxing Li, Xiaozhan Yang, Xinyue Huang
Cavity-Altered Thermal Isomerization Rates and Dynamical Resonant Localization in Vibro-Polaritonic Chemistry
Eric W. Fischer, Janet Anders, Peter Saalfrank
Cavity-modified unimolecular dissociation reactions via intramolecular vibrational energy redistribution
Derek S Wang, Tomáš Neuman, Susanne F Yelin, Johannes Flick
Characterization of the continuous transition from atomic to molecular shape in the three-body Coulomb system
Laura D. Salas, Barbara Zamora-Yusti, Julio C. Arce
Characterization of the lowest excited-state ro-vibrational level of $^{23}$Na$^{87}$Rb
Junyu He, Junyu Lin, Romain Vexiau, Nadia Bouloufa, Olivier Dulieu, Dajun Wang
Charge state depletion nanoscopy with a nitrogen-vacancy center in nanodiamonds
Qi-Yu Wang, Ze-Hao Wang, Bo Du, Xiang-Dong Chen, Guang-Can Guo, Fang-Wen Sun
Chemistry and Quantum
JF Ogilvie
Chemistry beyond the Hartree-Fock limit via quantum computed moments
Michael A. Jones, Harish J. Vallury, Charles D. Hill, Lloyd C. L. Hollenberg
Cholesky decomposition of complex two-electron integrals over GIAOs: Efficient MP2 computations for large molecules in strong magnetic fields
Simon Blaschke, Stella Stopkowicz