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 1789-1800 of 9,538
Interlocked Rotaxane Enables TADF with Distinct Excited-State Structural Relaxation.
Lin CJ, Chang KH, Lin CY, Su KH, Hung CM, Liu YH, Shih O, Wong KT, Chou PT
Intermolecular Halogen Interaction-Induced Efficient Room-Temperature Phosphorescence in Isomer Crystals: A Theoretical Perspective.
Gao J, You XX, Duan YC, Zhang L, Zhao ZW, Zhao L, Geng Y
Internal conversion dominates the excited state dynamics and fluorescence efficiency of mono-substituted TPE-BODIPY dyes.
Cui P, Yin F, Wang Z
Interplay between photon condensation and electron-electron interactions in molecular systems
Matteo Parisi, Elisabetta Paladino, Giuseppe A. Falci, Gian Marcello Andolina, Salvatore Savasta, Marco Polini, Francesco M. D. Pellegrino
Interplay between Ultrafast Electronic and Librational Dynamics in Liquid Nitrobenzene Probed with Two-Color Four-Wave Mixing.
Shivaram N, Thurston R, Belkacem A, Weber T, Tan LZ, Slaughter DS
Interplay of Aggregation-Induced Enhanced Emission and Thermally Activated Delayed Fluorescence in Asymmetric Fluorenyl-Benzothiadiazole Derivatives.
Vesga-Hernández C, Carvalho RS, Santos AM, Peñafiel MJP, Maqueira L, Back DF, Aucélio RQ, Rodembusch F, Franchello F, Laureto E, Cremona M, Limberger J
Interplay of Redox Non-Innocence and Symmetry Breaking in a 4d Coordination Framework.
Viborg A, Dunstan MA, Sapnik AF, Aribot F, Kubus M, Yutronkie NJ, Živković I, Borup K, Li Z, Leyva-Parra L, Ubach I Cervera M, Gracia D, López-Alcalá D, Baldoví JJ, Wilhelm F, Nassif V, Iversen BB, Evangelisti M, Rønnow HM, Reyes-Lillo SE, Rogalev A, Pedersen KS
Interplay of redox, double-layer, and quantum effects governing the capacitance in nitrogen-doped Ti(2)CT(x) MXene-based supercapacitors.
T S, Mathew V
Interplay of Semicoordination and π-Hole Bonding: The Case of Cocrystals of Group 10 (Ni, Pd, Pt) Dithiocarbonate Complexes with 1,4-Diiodotetrafluorobenzene.
Stozharova MA, Suslonov VV, Gomila RM, Frontera A, Eliseeva AA
Interpretable machine learning and molecular simulations identify natural pancreatic lipase inhibitors and hydrophobic hotspot residues.
Zhao Y, Wang J, Yu S, Zhuo X, Li X, Chen Z, Liang G
Interpretable Machine Learning for Benchmarking <scp>DFT</scp> Electron Affinity Predictions: A Generalized Additive Model Approach
Ismail Badran, Abdelrahman Eid, Motasem Far, Nadeen Abbas, Raghad Tayeh, Sahar Salman, Yasmeen Hamdan
Interrelation of dipolar spin dynamics and multiple quantum dynamics of a two-spin system with dephasing relaxation
G.A. Bochkin, E.B. Fel’dman, S.G. Vasil’ev