Calculation of polarizability derivatives using analytic gradient methods von Amos, R.D.

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Analysis of chiral oxirane molecules in preparation for next generation telescopes: A review, new analysis, & a chiral molecule database von Tremblay, C.D., Amos, R.D., Kobayashi, R.

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Anharmonic vibrational properties of CH2F2: a comparison of theory and experiment von AMOS, R. D, HANDY, N. C, GREEN, W. H, JAYATILAKA, D, WILLETTS, A, PALMIERI, P

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The application of CAM-B3LYP to the charge-transfer band problem of the zincbacteriochlorin–bacteriochlorin complex von Kobayashi, Rika, Amos, Roger D.

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Raman intensities using time dependent density functional theory von VAN CAILLIE, C, AMOS, R. D

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On the efficient evaluation of analytic energy gradients von Rice, J.E., Amos, R.D.

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The elimination of singularities in derivative calculations von Handy, N.C., Amos, R.D., Gaw, J.F., Rice, J.E., Simandiras, E.D.

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The harmonic frequencies of benzene von Handy, Nicholas C., Maslen, Paul E., Amos, Roger D., Andrews, Jamie S., Murray, Christopher W., Laming, Gregory J.

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Restricted Møller—Plesset theory for open-shell molecules von Knowles, Peter J., Andrews, Jamie S., Amos, Roger D., Handy, Nicholas C., Pople, John A.

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Density functional predictions for magnetizabilities and nuclear shielding constants von WILSON, PHILIP J., AMOS, ROGER D., HANDY, NICHOLAS C.

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Dipole moment derivatives of H2O and H2S von AMOS, R. D

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Vibrational circular dichroism of propylene oxide von Kawiecki, R.W., Devlin, F., Stephens, P.J., Amos, R.D., Handy, N.C.

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The analytic evaluation of second-order møller-plesset (MP2) dipole moment derivatives von Simandiras, E.D., Amos, R.D., Handy, N.C.

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Kohn—Sham bond lengths and frequencies calculated with accurate quadrature and large basis sets von Murray, Christopher W., Laming, Gregory J., Handy, Nicholas C., Amos, Roger D.

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Geometric derivatives of density functional theory excitation energies using gradient-corrected functionals von Van Caillie, Carole, Amos, Roger D.

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Efficient calculation of vibrational magnetic dipole transition moments and rotational strengths von Amos, R.D., Handy, N.C., Jalkanen, K.J., Stephens, P.J.

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Open-shell Møller-Plesset perturbation theory von AMOS, R. D, ANDREWS, J. S, HANDY, N. C, KNOWLES, P. J

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Density functional predictions for metal and ligand nuclear shielding constants in diamagnetic closed-shell first-row transition-metal complexes von WILSON, P. J, AMOS, R. D, HANDY, N. C

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Geometric derivatives of excitation energies using SCF and DFT von Van Caillie, Carole, Amos, Roger D.

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SCF dipole moment derivatives, harmonic frequencies and infrared intensities for C2H2 and C2H4 von AMOS, R. D

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