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 205-216 of 9,662
Ab initio analysis of Coulomb explosion in ionized molecules.
Alves MDS, da Silva RS, Ballester MY
Ab initio mixed polarizabilities responsible for the Raman-forbidden ν2 transition in carbon dioxide molecule.
Finenko AA, Chistikov DN, Kouzov AP
Ab initio multichannel calculation of the Bethe surface and Compton defects for molecular hydrogen
Hakon Volkmann, Alejandro Saenz
Ab Initio Polariton Spectra of ZnTPP Molecules Collectively Coupled Inside an Optical Cavity.
Weight BM, Rury AS, Shao Y, Huo P
Ab initio potential energy surface of NC(4)N-He: rotationally inelastic collisions and rate coefficients.
Kaur G, Chahal P, Dhilip Kumar TJ
Ab Initio Random Matrix Theory of Molecular Electronic Structure
Zhen Tao, Victor Galitski
Abiotic Peptide-Like Bond Formation in Gas-Phase Nitrile-Water Clusters Driven by Vacuum Ultraviolet Photoionization.
Li Y, Gao J, Guan J, He J, Xie M, Hu Y
Abnormal Chiral Coupling for Efficient and Stable Reduced-Dimensional Perovskite Emitters.
Li Z, Duan X, Meng H, Man T, Gong N, Li LH, Zhou Z, Wang C, Bai G, Chen Z, Su Z, Gao X, Liu X, Shen W, Qin W, Gao P, Wang Y, Zhang L, Tan PH, Chen H, Qiu J, Sun Y, Xu B
Accelerated "On-the-Fly" Coupled-Cluster Path-Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton.
Spura T, Elgabarty H, Kühne TD
Accelerated Screening of Halide Double Perovskites via Hybrid Density Functional Theory and Machine Learning for Thermoelectric Energy Conversion
Souraya Goumri‐Said, Ghouti Abdellaoui, Mohammed Benali Kanoun
Accelerating geometry optimization via Grassmann-DIIS extrapolation.
Song Z, Lao KU
Accuracy and Resource Advantages of Quantum Eigenvalue Estimation with Non-Hermitian Transcorrelated Electronic Hamiltonians.
Uvarov A, Izmaylov AF