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 6769-6780 of 9,538
Atomistic mechanisms of the double proton transfer in the H-bonded nucleobase pairs: QM/QTAIM computational lessons.
Brovarets' OO, Hovorun DM
Attraction between electrophilic caps: A counterintuitive case of noncovalent interactions.
Wang C, Danovich D, Shaik S, Wu W, Mo Y
Automated Workflow for Somatic and Germline Next Generation Sequencing Analysis in Routine Clinical Cancer Diagnostics.
Muscarella LA, Fabrizio FP, De Bonis M, Mancini MT, Balsamo T, Graziano P, Centra F, Sparaneo A, Trombetta D, Bonfitto A, Scagliusi V, Larizza P, Capoluongo ED, Fazio VM.
Avalanche-like behavior of up-conversion luminescence by nonlinear coupling of pumping rates
M. V. Korolkov, I. A. Khodasevich, A. S. Grabchikov, D. Mogilevtsev, E. V. Kolobkova
Bell correlations between light and vibration at ambient conditions
Santiago Tarrago Velez, Vivishek Sudhir, Nicolas Sangouard, Christophe Galland
Building Molecular Complexity from Quinizarin: Conjoined Coumarins and Coronene Analogs.
Węcławski MK, Deperasińska I, Banasiewicz M, Young DC, Leniak A, Gryko DT
Calculation of electron-ion temperature equilibration rates and friction coefficients in plasmas and liquid metals using quantum molecular dynamics
Jacopo Simoni, Jérôme Daligault
Carbon dots produced via space-confined vacuum heating: maintaining efficient luminescence in both dispersed and aggregated states.
Zhou D, Jing P, Wang Y, Zhai Y, Li D, Xiong Y, Baranov AV, Qu S, Rogach AL
Cascade laser sensing concepts for advanced breath diagnostics.
Tütüncü E, Mizaikoff B
CASSCF with Extremely Large Active Spaces using the Adaptive Sampling Configuration Interaction Method
Daniel S. Levine, Diptarka Hait, Norm M. Tubman, Susi Lehtola, K. Birgitta Whaley, Martin Head-Gordon
Charge and spin response functions on a quantum computer: applications to molecules
Taichi Kosugi, Yu-ichiro Matsushita
Charge-transfer plasmons with narrow conductive molecular bridges: A quantum-classical theory
A. S. Fedorov, P. O. Krasnov, M. A. Visotin, F. N. Tomilin, S. P. Polyutov, H. Ågren