Quantum Chemistry
8,744 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 2869-2880 of 8,744
Unraveling the significance of Raman modes, Gruneisen parameters and phonon lifetimes in the hexagonal allotropes of Silicon and Germanium compounds
Lekshmi S M, Upasana Agrawal, Akarsh Jain, Siddharth Sastri, Suvadip Das
Unravelling the combustion kinetics of N-methyl aniline: decomposition and OH-addition pathways from quantum chemistry and flame speed measurements
Aboli Pingle, Sudarshan Kumar, Neeraj Kumbhakarna
Unusual Diterpenoids from the South China Sea Soft Coral Sarcophyton ehrenbergi.
Yan X, Xia Y, Chen X, Ouyang H, Li T, Zhang W, Lin W, Wu B, Chen X, He S
Unveiling carrier dynamics and enabling functional imaging via a multispectral quantum dot upconversion infrared image sensor
Seongkeun Oh, Yuri Kim, Junhyeok Park, Hanseok Seo, Young Kyun Choi, Yoonji Yang, Jaehoon Lim, Tse Nga Ng, Heesun Yang, Soong Ju Oh
Unveiling Davydov-Split Excitons in a Template-Engineered Molecular-Graphene Heterostructure
Jan Kunc, Bohdan Morzhuk, Veronika Stará, Devanshu Varshney, Mykhailo Shestopalov, Kryštof Matějka, Martin Rejhon, Jiří Novák, Jan Čechal
Unveiling field-induced single-ion magnetism in pentacoordinate and heptacoordinate cobalt(II), dysprosium(III) and terbium(III) complexes with a tridentate bis(benzimidazole)pyridine ligand.
Malinová N, Pavlik J, Kotrle K, Nemec I, Dubaj T, Brachňaková B, Ruben M, Šalitroš I
Unveiling n → π* interactions: convergence of quantum crystallography and computational insights.
Polo A, García-Orduña P, Echeverría J, Sanz Miguel PJ
Unveiling the Antifouling Mechanism of Polyester and Polyamide Membranes against Alginate Fouling via Molecular Dynamics Simulations.
Tian W, Yu C, Gong L, Zhou Y
Unveiling the binding mechanism of orexin 2 receptor antagonists with computational chemistry.
de Souza Sena CP, de Albuquerque PC, Fulco UL, de Oliveira JIN, Vieira DS
Unveiling the Effect of Interfacial Structure on Hot Carrier Dynamics in Ag/ZnS Heterostructures through Interface Engineering.
Ge F, Wei Z, Bao X, Ji Q, Zhang W, Wang Y, Jiang Y, Li A, Ju MG, Liu X, Tian Y, Wu XJ
Unveiling the influence of 3d transition metal (Sc-Zn) doping on quantum capacitance and surface charge storage in bare nano cages (Al(12)N(12), Al(12)P(12), B(12)N(12), and B(12)P(12)) - a first principles simulation study.
Subramani D, Arumugam D, Muralidharan A, Beena SP, Ramasamy S
Unveiling the matrix tolerance discrepancies between colloidal gold and quantum dot microspheres-based lateral flow immunoassays for procymidone detection
Jiawei Chen, Yuting Wu, Jiaqi Yin, Bei Gan, Juan Peng, Weihua Lai