Quantum Chemistry
9,538 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 1345-1356 of 9,538
First principles characterization of spinterfaces between magnetic Cobaltocene molecule and 2D magnets (CrI$_3$, Fe$_3$GeTe$_2$)
Nikola Machacova, Biplab Sanyal
First-principles design of main-group dimer defects in ZnO as candidate quantum defects
Taejoon Park, Erik Alfredo Perez, Shimin Zhang, Yuan Ping, Hosung Seo
First-Principles Electronegativity Scale from the Atomic Mean Inner Potential
Jin-Cheng Zheng
First-principles predictions of band alignment in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures
Nathaniel M. Vegh, Pericles Philippopoulos, Raphaël J. Prentki, Wanting Zhang, Yu Zhu, Félix Beaudoin, Hong Guo
First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface.
Song Y, Li S, Lin P, Li J, Ouyang T, Tang C, He C
First-principles study of spin-selective transport properties and quantum logic gate operation in transition-metal-capped nanowires.
Adak D, Jana D, Chattopadhyaya M, Sen S
First‐Principles Insights into Asymmetric Surface Reactivity of Janus <scp>WSTe</scp> Monolayers
Jinying Li, Yifan Wang, He Liu, Chunwei Yang
Five-Scale Empirical Verification of the Ω-Attractor: From Silicon Parameter Space to Interstellar Trajectory
Vinness Aisingioro Ollervides
Flat topological nodal lines in heavy-fermion compound CeCoGe3
Yuting Wang, Weikang Wu, Jianzhou Zhao
Flexible Capacitive Synapse with Ultralow Energy Consumption Enabled by a Freestanding BaTiO(3) Membrane.
Hou Z, Shen C, Chen J, Chen S, Zeng M, Hao L, Zhang H
Flexible disulfide-bridged hyperbranched poly(amido amine)s based nonconjugated carbonized polymer dots for iron (III) sensing and its application in meat by-product.
Tian X, Li L, Yan C, Wang Z, Zheng X, Liu BT, Chen L, Li S, Shang M, Li C, Zhang D
Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics.
Martinka J, Martyka M, Medhi B, Pittner J, Dral PO