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A Linear Response GOSTSHYP/COSMO Framework for Excited States in High Pressure EnvironmentsThe Journal of Physical Chemistry LettersIF02026-01-200PRE
Novel pseudomomentum-translational sum rule for the molecular Berry curvature新型伪动量-平移求和规则下的分子贝里曲率JOURNAL OF CHEMICAL PHYSICSIF3.12025-04-150OA
An Integral-Direct GOSTSHYP Algorithm for the Computation of High Pressure Effects on Molecular and Electronic StructureJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52025-01-170OAAI
Efficient approximate screening techniques for integrals over London atomic orbitalsJOURNAL OF CHEMICAL PHYSICSIF3.12024-07-122PRE
Consistent Analytical Second Derivatives of the Kohn-Sham DFT Energy in the Framework of the Conductor-Like Screening Model through Gaussian Charge DistributionsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52024-04-014PRE
Current density functional framework for spin-orbit couplingJOURNAL OF CHEMICAL PHYSICSIF3.12022-11-2221OA
Molecular dynamics of linear molecules in strong magnetic fieldsJOURNAL OF CHEMICAL PHYSICSIF3.12022-08-0415OA
Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic FieldsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52022-05-1610PRE
Molecular point groups and symmetry in external magnetic fieldsJOURNAL OF CHEMICAL PHYSICSIF3.12021-11-2311OA
Chiral Resolution of Spin-Crossover Active Iron(II) [2x2] Grid ComplexesCHEMISTRY-A EUROPEAN JOURNALIF3.72021-07-2010OAAI
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