Quantum Chemistry
3,656 papers from PubMed
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 505-516 of 3,656
Decoding vibrational energy transfer in CO-O2 collisions: Vibrational state-to-state rate coefficient datasets on a new potential energy surface.
Hong Q, Pirani F, Kurnosov A, He D, Sun Q, Coletti C
Decomposition of Magnetic Coupling in μ-Oxo-Bridged Metal Complexes.
Krampe J, Krewald V
Decoupling carboxyl position and annulation site effects on ICT, pH response, and serum albumin binding in dual-regioisomeric benzoindole fluorophores.
Ren A, Chen J, Li T, Gan Y, Zhang B
Decoupling morphology to reveal intrinsic activity: Quantum-sized vanadium nitride for bifunctional hydrazine splitting.
Liu X, Zhang J, Jia R, Wang Z, Ding Y, Chen L, Cui S
Decoupling oxygen sensitivity and aggregation effects in a dual-emissive platinum(II) chlorin lifetime probe.
Costa T, Pineiro M, Laranjo M, Serambeque B, Botelho MF, Pereira NAM, Alves AJS, Pinho E Melo TMVD, Seixas de Melo JS
Decoupling X-Ray Absorption and Emission: Ionic TADF Scintillators With Heavy-Atom-Functionalized Organic Anions.
Liang D, He Q, Jia JH, Cai XB, Hu SB, Lu CZ
Deep Eutectic Solvent-Type Mixture as a Green Catalyst in the Solvent-Free Cycloaddition of CO(2) and Epoxides.
Martí T, Marset X, Guillem C, Guillena G, Aparicio S, Ramón DJ
Deep Learning Parameter Estimation and Quantum Control of Single Molecules.
Scarpetta JM, Calderón-Losada O, Hjorth-Jensen M, Reina JH
DeepMech: a machine learning framework for chemical reaction mechanism prediction.
Das M, Hoque A, Baranwal M, Sunoj RB
Defect Passivation with 4-(Trifluoromethyl)Aniline for Efficient and Stable FAPbI(3) Quantum Dot Solar Cells.
Liu Y, Zheng Z, Tao J, Wang L, Chen W
Defect-Functionalization-Mediated Tunneling Drives Nonlinear Photoemission in Perovskites.
Ren H, Zhang X, Wang Y, Wang S, Wang Z, Li Y, Yang J, Wang X, Chen W, Mu Y
Defect-Mediated Catalysis for Low-Temperature Formation of Graphene-Based Materials.
Zhang M, Yoshii T, Zhao Q, Hayasaka Y, Di Tommaso D, Nishihara H