大类:Physics and Astronomy
小类:Condensed Matter Physics
Q2
147 / 443
大类:Physics and Astronomy
小类:Atomic and Molecular Physics, and Optics
Q2
91 / 232
大类:Physics and Astronomy
小类:Physical and Theoretical Chemistry
Q2
93 / 187
期刊高被引文献
A theoretical insight into the role of counter anions and their interactions in nitropentaamminecobalt(III) toward linkage isomerism-induced photochemical motion
来源期刊:International Journal of Quantum ChemistryDOI:10.1002/QUA.25929
Atomic pseudopotentials for reproducing π-orbital electron behavior in sp 2 carbon atoms
来源期刊:International Journal of Quantum ChemistryDOI:10.1002/QUA.25914
Carbene triel bonds between TrR3 (Tr = B, Al) and N‐heterocyclic carbenes
来源期刊:International Journal of Quantum ChemistryDOI:10.1002/QUA.25867
Charged-cell periodic DFT simulations via an impurity model based on density embedding: Application to the ionization potential of liquid water
来源期刊:International Journal of Quantum ChemistryDOI:10.1002/QUA.25801
Chemical machine learning with kernels: The impact of loss functions
来源期刊:International Journal of Quantum ChemistryDOI:10.1002/QUA.25872