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 1333-1344 of 3,656
Mixed-Precision Ab Initio Tensor Network State Methods Adapted for NVIDIA Blackwell Technology via Emulated FP64 Arithmetic.
Brower C, Rodriguez Bernabeu S, Hammond J, Gunnels J, Xantheas SS, Ganahl M, Menczer A, Legeza Ö
Mode-specific quasi-classical dynamics of the F(-) + SiH(3)Cl system.
Dékány AÁ, Molnár BJ, Czakó G
Modeling of Fiber Orientation-Dependent R1 Relaxation in Human White Matter In Vivo Within The Framework of The Transient Hydrogen Bond Model.
Yablonskiy DA, Kauppinen RA, Paasonen E, Thotland J, Könönen M, Pisharady P, Lenglet C, Hakumäki JM, Gröhn OHJ, Garwood M, Sukstanskii AL
Modeling the emission spectra of polycyclic aromatic hydrocarbons by recurrent fluorescence.
Borja D, Calvo F, Parneix P, Falvo C
Modified quantum dilated convolutional neural network for cancer prediction using gene expression data.
N M, R K, V D, S S
Modular Molecular Design and Self-Assembled Nanostructures of Saccharide‑Appended Cyclic Dipeptides for Glycosidase‑Responsive Supramolecular Hydrogels.
Sugiura S, Tanaka R, Higashi SL, Shibata A, Hirosawa KM, Suzuki KGN, Ikeda M
Modular One-Pot Access to π-Expanded Tetrakis(Phenothiazinyl)-Silanes With Broadly Tunable Redox and Emission Properties.
Merke TPM, Presser L, Karl L, Ganter C, Müller TJJ
Modular synthesis of chemically programmable superlattices.
Zhou J, Ren H, Huang Y, Duan X
Modular three-component synthesis, photophysics, and electronic structure of solid-state and aggregate luminescent α-sulfenylated aroyl-S,N-ketene acetals.
Krenzer J, London P, Merzenich S, Vasylyeva V, Müller TJJ
Modulating resonance structures toward highly efficient violet-blue organic light-emitting diodes with narrow emission.
Wang X, Gan H, Xie M, Tan W, Niu P, Li M, Liao X, Wang B, Ying L, Yu Y, Ma Y
Modulating the contact properties of XY(2)/Sc(2)CCl(2) (X = Nb, Ni, Ti, V, Mn, Ta; Y = S, Se) heterostructures via layer number, electric field, and vertical strain.
Xie Y, Zhang M, Chen ZY, Du C, Li JQ, Chen Y, Hao LM, Zhang T
Modulation of electronic structure via dual moiré patterns in twisted 1T-TaSe(2).
Liu Y, Zheng Y, Yang K, Zhang W, Wu Z, Gao J, Luo X, Sun Y, Zhang J, Yin Y