Quantum Chemistry
8,661 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 1393-1404 of 8,661
IR Spectral density of υ(S)(N-H⃗) band of 3-phenylpyrazole polymorphs: Elucidation of the synergistic influences of vibrational mode dynamics, anharmonic coupling, and direct relaxation within the framework of linear response theory.
Alothoum MAS, Alshehab A, Alsaif NAM, Hachuła B, Rekik N
Iron-doped carbon dot nanozymes with fluorescence and enzyme-like activity as dual-mode sensor for the detection of tetracycline.
Li Z, Liu X, Zhang Y, Tong X, Liu J, Lei Y, Guo P, Liang W, Zhou M, Yang S
Iron-induced phase engineering for high color-purity blue LEDs in perovskites.
Cho Y, Park SW, Baek S, Yun D, Shin GY, Son H, Song S, Cho HW, Shin H, Lee TK, Kim GH
Irradiation of condensed CO reveals a new pathway for the formation of aromatic molecules in astrochemical ices.
Khan W, Ramachandran R, Gupta S, Meka JK, Venkataraman V, Rajasekhar BN, Janardhan P, Bhardwaj A, Mason NJ, Sivaraman B
Irrelevant Role of Level-Electrode Coupling Asymmetry in Driving Rectification in Molecular Tunnel Junctions: Decisive Experimental Evidence from Junctions with Dissimilar Electrodes.
Feng Y, Yang R, Bâldea I, Xie Z
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
Is the matrix completion of reduced density matrices unique?
Gustavo E. Massaccesi, Ofelia B. Oña, Luis Lain, Alicia Torre, Juan E. Peralta, Diego R. Alcoba, Gustavo E. Scuseria
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