Deviations Between The Dipole Moments Computed With Mod Cpo Active
Deviations between the dipole moments computed with mod-CPO active ...
Computed transition dipole moments (m 0n ) between the ground and n th ...
The active space dependence of the dipole moments (left) and potential ...
Computed transition electric dipole moments (TEDMs) for the main ...
Calculated average values of the dipole moments with respect to the ...
Dipole moments in Debye (D) for the Molecule 2, computed using various ...
Dipole moments in Debye (D) for the Molecule 2, computed using various ...
Projected dipole moments for the reactions with CHD (blue) and phenol ...
Dipole moments for the C Ϫ X ͑ a ͒ and B Ϫ X ͑ b ͒ transitions computed ...
Anticorrelation between the Evolution of Molecular Dipole Moments and ...
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Molecular Dipole Moments within the Incremental Scheme Using the Domain ...
Toward Reliable Dipole Moments without Single Excitations: The Role of ...
(a) Computed atomic dipole moments μ for carbon nanostructures as a ...
(a) Computed atomic dipole moments μ for carbon nanostructures as a ...
The errors of dipole moment calculated with cc-pwCVT/QZ and ...
The errors of dipole moment calculated with cc-pwCVT/QZ and ...
The errors of dipole moment calculated with def2-QZVPP and ...
The errors of dipole moment calculated with def2-QZVPP and ...
The calculated dipole moments (Debye), polarizability components (a.u ...
Computed total dipole moment with its components and electronic energy ...
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Associated Transition Dipole Moments Description of the Calculated ...
Computed permanent dipole moments of X 1 Σ + (upper panel) and A 1 Σ ...
Computed ground and excited state dipole moments for various CAD ...
Computed Dipole Moments (μ, Debye) and Isotropic Dipole... | Download ...
Representation of calculated dipole moments of the three studied ...
The computed dipole moments, polarizability and ¯rst... | Download ...
Computed adiabatic dipole moments and dipole polarizabilities of ...
Errors of dipole moments as a function of errors of R e with def2-QZVPP ...
Toward Reliable Dipole Moments without Single Excitations: The Role of ...
Toward Reliable Dipole Moments without Single Excitations: The Role of ...
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Complex amplitude of the induced dipole moments at various harmonics as ...
Transition dipole moments for the (a), (b) singlet, (c), (d) triplet ...
Computed ground and excited state dipole moments for various CAD ...
The relative deviations of computed bond length, dissociation energy ...
Computed Dipole Moments and FF-Derived Polarizability and... | Download ...
Transition dipole moment functions for the 6 ⌺ ϩ states computed at ...