Quantum Chemistry
366 papers for year 2022
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 49-60 of 366
Bifurcated Chalcogen Bonds Based on One σ-Hole
Saber Mehrparvar, Christoph Wölper, Rolf Gleiter, Gebhard Haberhauer
Bifurcation Oscillator as an Advanced Sensor for Quantum State Control.
Pashin D, Bastrakova M, Satanin A, Klenov N.
Bipolar single-molecule electroluminescence and electrofluorochromism
Tzu-Chao Hung, Roberto Robles, Brian Kiraly, Julian H. Strik, Bram A. Rutten, Alexander A. Khajetoorians, Nicolas Lorente, Daniel Wegner
BODIPY nanoparticles functionalized with lactose for cancer-targeted and fluorescence imaging-guided photodynamic therapy
Duy Khuong Mai, Chanwoo Kim, Joomin Lee, Temmy Pegarro Vales, Isabel Wen Badon, Koushitak De, Sung Cho, Jaesung Yang, Ho-Joong Kim
CH$_4\cdot$F$^-$ revisited: Full-dimensional ab initio potential energy surface and variational vibrational states
Dóra Papp, Viktor Tajti, Gustavo Avila, Edit Mátyus, Gábor Czakó
Characterization of adsorption properties inherent to zirconia dioxide for different positions of yttrium in the ZrO2–Y2O3 lattice
REQUIMTE, NOVA School of Science and Technology, University New of Lisbon, 2829-516 Caparica, Portugal, S.I. Lyubchykк, DeepTechLab, Universidade Lusófona, Campo Grande, 376, 1749-024 Lisboa, Portugal, S.B. Lyubchykк, REQUIMTE, NOVA School of Science and Technology, University New of Lisbon, 2829-516 Caparica, Portugal, DeepTechLab, Universidade Lusófona, Campo Grande, 376, 1749-024 Lisboa, Portugal, A.I. Lyubchykк, DeepTechLab, Universidade Lusófona, Campo Grande, 376, 1749-024 Lisboa, Portugal
Charge Transport in Organic Semiconducting Crystals Exhibiting TADF: Insight from Quantum Chemical Calculations
Andrey Sosorev, Dmitry Dominskiy, Nikita Dubinets
Charged ultralong-range Rydberg trimers
Daniel J. Bosworth, Frederic Hummel, Peter Schmelcher
Charging/discharging mechanism in Mg3Bi2 anode for Mg-ion batteries; The role of the spin-orbit coupling
M. Hussein N. Assadi, Christopher J. Kirkham, Ikutaro Hamada, Dorian A. H. Hanaor
Chemically Aware Unitary Coupled Cluster with ab initio Calculations on System Model H1: A Refrigerant Chemicals Application
I. T. Khan, M. Tudorovskaya, J. J. M. Kirsopp, D. Muñoz Ramo, P. W. Warrier, D. K. Papanastasiou, R. Singh
Chiral cavity induced spin selectivity
Nguyen Thanh Phuc
Classical and quantum orbital correlations in molecular electronic states
Onur Pusuluk, Mahir H Yeşiller, Gökhan Torun, Özgür E Müstecaplıoğlu, Ersin Yurtsever, Vlatko Vedral