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 229-240 of 3,656
Atomic-Level Synergy of Dual Single-Atom Catalysts for Photocatalytic Hydrogen Evolution Reaction.
Islam H, Mishra G, Biswas B, Jaksani B, Bhatt H, Das S, Ghosh HN, Mahatha SK, Ghosh K, Sarma BB, Ghosh S, Pal U
Atomically Precise Metal Clusters for NIR-II Imaging.
Ma H, Ma D, Liu P, Wang H, Zhang XD
Atomically sharp heteroepitaxial Hf(2)C edge contacts enabling barrier-free carrier injection in 2D HfSe(2) semiconducting channels.
Bhin G, Kang T, Jin JW, Ji S, Lee SY, Park CY, Lee JH, Oh S, Park JS, Song YJ, Lee S
Atomically Thin Two-Dimensional π-Conjugated Kagomé Polymers with Dirac Cone-Driven Charge Transport.
Dettmann D, Pecchia A, Notargiacomo A, Pea M, Franchi S, Re Fiorentin M, Hamzehpoor E, Mikov A, Preetha Genesh N, Galeotti G, Paci B, Johal TK, Di Palma V, Fanciulli M, Sgarlata A, Palummo M, Orgiu E, Perepichka DF, Rosei F, Contini G
Atomistic Model for Water Adsorption in Mg-MOF-74: Quantum Chemical Prediction of Structures and Isotherms.
Mancini N, Berger F, Rybicki M, Sillar K, Sauer J
Atomistic simulations reveal the photoactivation mechanism of a carotenoid-binding photoreceptor.
Arcidiacono A, Bondanza M, Cupellini L, Mennucci B
Attacking the integral transformation bottleneck: A fast orbital-optimization algorithm with sub-cubic computational cost for arbitrary seniority-zero wavefunctions.
Limacher PA
Attenuating Imine Bond Polarization in Covalent Organic Frameworks Accelerates Charge and Proton Transport for High-Efficiency Photocatalytic Hydrogen Evolution.
Luo Z, Li C, Yang W, Chang Y, Wu KL, Xia L, Gao J, Zhang F, Duan Q, Wang S, Xie Z, Wu X, Wang GE, Lin W, Chen TT, Zhou M, Zhu Y, Xu G, Chen X
Au-Coordinated Motifs with Optimization of Electronic Structure and Hydrogen Bond Network in Zr-Based Metal-Organic Frameworks for Enhanced Photocatalytic Hydrogen Evolution.
Li J, Meng H, Wang J, Xi S, Hao J, Yang C, Yang Y, Kuang Z, Zhu Y, Zhang XM
Au(20)Ag(32) Nanocluster Emitting Bright Near-Infrared-II Photoluminescence with Quantum Yield of 30% in Aerated Solution.
Sardar A, Wang Y, He G, Gianopoulos CG, Samarasinghe DSND, Liu Z, Kirschbaum K, Aikens CM, Jin R
Au(42)(PET)(32) Nanocluster Sensitizer Unlocks the Annihilator Potential of Rubrene, Enabling High-Performance NIR-to-Visible Photon Upconversion.
Mitsui M, Takano S, Tsukuda T
Augmenting Large Language Models for Automated Discovery of F-Element Extractants.
Zhang B, Summers TJ, Augustine LJ, Taylor MG, Geist A, Li R, Batista ER, Perez D, Yang P, Schrier J