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 1177-1188 of 3,656
Is it Possible to Reconcile the Amount of Charge Transfer Defined in Real Space by the Charge Displacement Function and in Hilbert Space by Absolutely Localized Molecular Orbitals?
Shen H, Head-Gordon M
Is the Matrix Completion of Reduced Density Matrices Unique?
Massaccesi GE, Oña OB, Lain L, Torre A, Peralta JE, Alcoba DR, Scuseria GE
Isolation and identification of anti-inflammatory diterpenoids from the post-distillation arils of Torreya grandis.
Tang J, Zhan S, Tu S, Hu X, Li M, Shi M, Ying Y
Isomer Lifetimes and Structure Dynamics of Sub-Nanosized Magnesium Clusters.
Ignatov SK, Panteleev SV, Masunov AE
Isomeric model molecules: understanding and regulating the emission nature of multiple-resonance thermally activated delayed fluorescence.
Cai X, Walia R, Guo W, Pu Y, Wei J, Chen XK, Wang Y
Isomerization HCN → HNC in the electronic ground state using chirp-optimized mid-IR pump and dump laser pulses: 3D quantum dynamics.
Effersø KL, Henriksen NE
Isomerization-Regulated Multiresonance Molecules for Achievement of Long-Wavelength Electroluminescence with Reduced Shoulder Vibronic Emission.
Cheng YC, Li JQ, Wang H, Chang Z, Liu PQ, Fan XC, Yu J, Wang K, Zhang DD, Chen XK, Zhang XH
Isoniazid-derived ionic liquids for enhanced C-steels surface finishing via electrochemistry, supported by Monte Carlo, mechanistic study, theoretical, and docking methodology.
Moustafa AHE, Harfoush AA, Abdel-Rahman HH, Hagar M, Mamdouh M
Isoquinoline alkaloids with bioactive constituents from the roots and rhizomes of Hylomecon japonica.
Cao Z, Zhu SJ, Xue ZW, Yao LY, Zhang XX, Guo ZJ
Isotope Abundance Measurement by Molecular Coulomb Explosion: Proof of Concept and Initial Performance Evaluation for Carbon and Oxygen Isotope Abundance.
Zhang R, Zhang C, Zhang L, Hansen K, Zhang S, Ma X
Isotopically Selected Co-Doping of (121)Sb and (123)Sb Pairs in Silicon.
Adshead M, Coke M, Tillotson E, Bouvier TF, Mkrtychyan A, Li K, Sullivan-Allsop S, Egoavil R, Thornley W, Cui Y, Gourlay CM, Moore KL, Djurabekova F, Haigh SJ, Curry RJ
Isotropic zero thermal expansion in sodalite crystals from 11 to 893 K.
Liu Y, Jiang X, Molokeev MS, Plyaskin M, Su Z, Lin Q, Sheng J, Wen W, Gao X, Dove MT, Lin Z