Quantum Chemistry
8,744 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 3109-3120 of 8,744
Entangled fingerprints for quantum-encoded chemoinformatics: quantum circuits for molecular similarity in the noisy era.
Shityakov S, Dandekar T.
Entanglement generation in qubit-ADAPT-VQE through four-qubit algebraic classification
Diego Tancara, Herbert Díaz-Moraga, Vicente Sepúlveda-Trivelli, Dardo Goyeneche
Environment-imposed selection rules for nuclear-spin conversion of H$_2$ in molecular crystals
Nathan Mclane, LeAnh Duckett, Leah G. Dodson
ENVIRONMENTAL SUSTAINABILITY OF RURAL WASTEWATER-TREATMENT PLANTS VIA LIFE-CYCLE ASSESSMENT WITH EMPHASIS ON CONSTRUCTED WETLANDS
ABDUL WAHED AHMADI, NILGUN BALKAYA
Error-Mitigation Enabled Multicomponent Quantum Simulations Beyond the Born-Oppenheimer Approximation
Delmar G. A. Cabral, Brandon Allen, Fabijan Pavošević, Sharon Hammes-Schiffer, Pablo Díez-Valle, Jack S. Baker, Gaurav Saxena, Thi Ha Kyaw, Victor S. Batista
Evaluating binding and interaction of selected pesticides with serum albumin proteins by Raman, 1H NMR, mass spectrometry and molecular dynamics simulation.
Wulf J, Lewit N, Akter S, K Bwambok D, Anum D, Alonge T, Kuedukey C, Bolton B, Dassow B, Halim MA, O Fakayode S
Evaluating the feasibility of chitosan-based carbon quantum dots in xerogel matrix for CO2 removal
Nur Ainaa Mohd Hasyim Chan, Norhusna Mohamad Nor
Exact and Tunable Quantum Krylov Subspaces via Unitary Decomposition
Ayush Asthana
Exact Factorization of Unitary Transformations with Spin-Adapted Generators
Paarth Jain, Artur F. Izmaylov, Erik R. Kjellgren
Exceptional points and spectral cusps from density-wave fluctuation
Zixi Fang, Chen Fang
Excitation energies and UV-Vis absorption spectra from INDO/s+ML
Ezekiel Oyeniyi, Omololu Akin-Ojo
Excited $Σ$ states of the hydrogen-antihydrogen molecule
L. Brumm, J. Schürmann, A. Saenz