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 8173-8184 of 9,538
Under-the-barrier electron-ion interaction during tunnel ionization
Emilio Pisanty
Universally Optimal Noisy Quantum Walks on Complex Networks
Filippo Caruso
Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO
Pawel Tecmer, Katharina Boguslawski, Ors Legeza, Markus Reiher
Vibration-assisted resonance in photosynthetic excitation energy transfer
E. K. Irish, R. Gómez-Bombarelli, B. W. Lovett
Witnessing spin-orbit thermal entanglement in rare-earth ions
O. S. Duarte, C. S. Castro, D. O. Soares-Pinto, M. S. Reis
Zero sound in a two-dimensional dipolar Fermi gas
Zhen-Kai Lu, S. I. Matveenko, G. V. Shlyapnikov
A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the molecule-cation interaction between the nitro group of 3,4-dinitropyrazole and H+, Li+, Na+, Be2+ or Mg2+.
Du S, Wang Y, Chen LZ, Shi WJ, Ren FD, Li YX, Wang JL, Cao DL
A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages.
Beheshtian J, Bagheri Z, Kamfiroozi M, Ahmadi A
A correlated-polaron electronic propagator: open electronic dynamics beyond the Born-Oppenheimer approximation
John A. Parkhill, Thomas Markovich, David G. Tempel, Alan Aspuru-Guzik
A novel approach for the synthesis of superparamagnetic Mn3O4 nanocrystals by ultrasonic bath.
Rohani Bastami T, Entezari MH
A QSAR study of radical scavenging antioxidant activity of a series of flavonoids using DFT based quantum chemical descriptors--the importance of group frontier electron density.
Sarkar A, Middya TR, Jana AD
A systematical comparison of DFT methods in reproducing the interaction energies of halide series with protein moieties.
Liu X, Zhou P, Shang Z