Quantum Chemistry
9,662 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 1117-1128 of 9,662
Electron-Ion Path Integral Monte Carlo with Hard Core
Riccardo Fantoni
Electron-Transfer and Exchange-Interaction Model of the Ligand Hyperfine Structure of Alkylated Iron-Sulfur Clusters.
Robinson WC, Pascutti V, Hall DA, Mosquera MA
Electronic coherence formation in the radiationless S2 decay of pyrazine: Quantum Ehrenfest simulations focused on the branching space of the conical intersection
Luke J. Moore, Michael J. Bearpark, Graham A. Worth, Michael A. Robb
Electronic key-lock matching underpins exclusive recognition of hydrogen sulfide by fluorescent-nanozyme carbon dots.
Wu H, Hao Y, Wang H, Wang K, Dong W, Shuang S, Guo J, Liu Q, Dong C, Gong X
Electronic properties of the Radium-monochalcogenides RaX (X = O,S,Se) and RaO+/- ions
Mateo Londoño, Jesús Pérez-Ríos
Electronic Shannon Entropy as an Effective Descriptor of Nonradiative Dynamics in Dense Manifolds of Excited States: Case Study of C(20), C(60), C(70), C(76), C(84), C(86), and C(90) Fullerenes.
Yasin K, Shakiba M, Akimov AV
Electronic Structure Characteristics of Complex Chalcogenides, Halides, and Oxides from Quantum-Mechanical Calculations
A. A. Lavrentyev, B. V. Gabrelian, Vu Van Tuan, K. F. Kalmykova
Electronic Structures and Stabilities of Trimethylsilyl-Masked Pnictogen and Chalcogen Complex Anions and Comparisons to Their Hydrides: A Combined Photoelectron Spectroscopy and Computational Study.
Cao W, Gao XF, Dollberg K, von Hänisch C, Tambornino F, Wang XB
Electronically Forbidden Raman Pathways Create a New Contrast Mechanism in Single-Molecule TERS.
Ikagawa H, Tamura M, Ishihara H
Electrons Hopping across a Molecular Network: Spectra and Symmetries
Ludwig Schulz, Max Best, Carsten Henkel
Electrostatic complementarity and interlayer coupling modulation in halogen-modified covalent organic frameworks for enhanced photocatalytic oxygen reduction.
Wu C, Chu F, Zhang H, Sun Y, Jiao Y, Zhao C, Zhang Z, Li X, Wang A, Jiang J
Electrostatic Gating of Ionic Conductance through Heterogeneous van der Waals Nanopores.
Barajas-Aguilar AH, Schiel M, Cao E, Cain D, Berrens ML, Aydin F, Pham TA, Sanchez-Yamagishi J, Siwy ZS