Dipole moment derivatives of H2O and H2S

Keywords

Dipole, Quadrupole, Limit (mathematics), Moment (physics), Chemistry

References

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Cited by

• Vibrational circular dichroism spectroscopy of chiral molecules.Guochun Yang, Yunjie Xu — 2011
• A theoretical study of the force field for carbon trioxideJoseph S. Francisco, Ian H. Williams — 1985
• Computational IR Spectroscopy for PAHs: From the Early Years to the Present StatusF. Pauzat — 2011
• A model for the geometries of Van der Waals complexesA. D. Buckingham, Philip W. Fowler — 1985
• A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectraHenrik Bohr, K. J. Jalkanen, Marcus Elstner — 1999
• Structural and spectral consequences of ion pairing: A theoretical study of CF3O−Li+ and CF3O−Na+Joseph S. Francisco, Ian H. Williams — 1985
• Structure and harmonic vibrational frequencies of the carbon suboxide molecule using analytic derivative methodsRoger D. Amos — 1984
• Analytical calculation of MCSCF dipole‐moment derivativesTrygve Helgaker, Hans Jørgen Aa. Jensen, Poul Jo rgensen — 1986
• Calculation of paramagnetic susceptibilities using electronic atomic axial tensors (or nuclear shielding tensors) and the distributed origin gauge: Ethylene oxidePhilip J. Stephens, K. J. Jalkanen, Paolo Lazzeretti — 1989
• Structures and vibrational frequencies of the A'and ASusan M. Colwell, Roger D. Amos, Nicholas C. Handy — 1984
• A theoretical study of the structures and vibrational spectra of dioxirane and difluorodioxiraneJoseph S. Francisco, Ian H. Williams — 1985
• Vibrational frequencies and intensities of H-bonded and Li-bonded complexes. H3N⋅⋅HCl and H3N⋅⋅LiClM. M. Szczȩśniak, Ingrid J. Kurnig, Steve Scheiner — 1988
• Systematic study of molecular anions within the self‐consistent‐field approximation: OH−, CN−, C2H−, NH−2, and CH−3Timothy J. Lee, Henry F. Schaefer — 1985
• Quantum mechanical approach to IR intensities via nuclear electric shielding tensors. I. WaterPaolo Lazzeretti, Riccardo Zanasi — 1985
• A New dimension to quantum chemistry: Theoretical methods for the analytic evaluation of first, second, and third derivatives of the molecular electronic energy with respect to nuclear coordinatesHenry F. Schaefer, Yukio Yamaguchi — 1986
• Energetics, structures, vibrational frequencies, vibrational absorption, vibrational circular dichroism and Raman intensities of Leu-enkephalinK. J. Jalkanen — 2003
• Direct analytic SCF second derivatives and electric field propertiesMichael J. Frisch, Martin Head‐Gordon, John A. Pople — 1990
• Quantum mechanical predictions of chiroptical vibrational propertiesPrasad L. Polavarapu — 2006
• Analytical derivatives for molecular solutes. II. Hartree–Fock energy first and second derivatives with respect to nuclear coordinatesRoberto Cammi, J. Tomasi — 1994
• The infrared absorption intensities of the water molecule: A quantum chemical studyDavid J. Swanton, George B. Bacskay, Noel S. Hush — 1986

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