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The effects of couplings to symmetric and antisymmetric modes and minor asymmetry on the spectral properties of mixed-valence and related charge-transfer systems

Chemical physics, 1996-08, Vol.208 (2), p.177-193

1996

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Nature of the ground and first excited states of the radical cations of photosynthetic bacterial reaction centres

Chemical physics, 1995-08, Vol.197 (3), p.323-332

1995

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Electron transfer and energy transfer through bridged systems. I. Formalism

Chemical physics, 1989-07, Vol.134 (2), p.323-354

1989

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Hole, electron and energy transfer through bridged systems. VIII. Soliton molecular switching in symmetry-broken Brooker (polymethinecyanine) cations

Chemical physics, 1993-10, Vol.176 (2), p.407-420

1993

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Electron transfer and energy transfer through bridged systems. II. Tight binding linkages with zero asymptotic band gap

Chemical physics, 1990-09, Vol.146 (1), p.89-103

1990

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Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. I. Geometry

Chemical physics, 1992-11, Vol.167 (1), p.77-99

1992

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Spectroscopic evidence for electronically forbidden but vibronically allowed long-range electron transfer in norbornylog-bridged naphthalene-diacyanoethylene systems

Chemical physics, 1990-09, Vol.146 (1), p.105-114

1990

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Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. II. Charge density wave

Chemical physics, 1992-11, Vol.167 (1), p.101-109

1992

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Inequivalent XPS binding energies in symmetrical delocalized mixed-valence complexes

Chemical physics, 1975-01, Vol.10 (2), p.361-366

Hush, N.S.

1975

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Finite field method calculations. VI. Raman scatering activities, infrared absorption intensities and higher-order moments: SCF and CI calculations for the isotopic derivatives of H2O and SCF calculations for CH4

Chemical physics, 1980-09, Vol.51 (1-2), p.49-60

1980

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Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N2, CO, CN−, HCN and HNC

Chemical physics, 1978-07, Vol.31 (3), p.467-483

1978

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Comparison of the effects of symmetric versus asymmetric H bonding on 2H and 17O nuclear quadrupole coupling constants: Application to formic acid and the hydrogen diformate anion

Chemical physics, 1982, Vol.64 (1), p.1-17

1982

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Finite field method calculations. V. Raman scattering activities and infrared absorption intensities for H2O, D2O, CH4 and CD4

Chemical physics, 1979-05, Vol.38 (3), p.319-328

1979

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Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems

Chemical physics, 1977-07, Vol.23 (1), p.9-22

1977

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Finite field method calculations. V. Raman scattering activities and infrared absorption intensities for H 2O, D 2O, CH 4 and CD 4

Chemical physics, 1979, Vol.38 (3), p.319-328

1979

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Finite-field method calculations of molecular polarisabilities. I. Theoretical basis and limitations of SCF and Galerkin treatments

Chemical physics, 1977-05, Vol.22 (1), p.141-150

1977

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Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N 2, CO, CN −, HCN and HNC

Chemical physics, 1978, Vol.31 (3), p.467-483

1978

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Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N 2

Chemical physics, 1978, Vol.31 (3), p.375-390

1978

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Finite-field method calculations. III. Dipole moment gradients, polarisability gradients and field-induced shifts in bond lengths, vibrational levels

Chemical physics, 1977-09, Vol.24 (3), p.333-341

1977

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A comparison of tunneling transfer theories for asymmetric isomerization reactions

Chemical physics, 1982-08, Vol.69 (3), p.259-266

1982

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Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N2

Chemical physics, 1978-07, Vol.31 (3), p.375-390

1978

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The role of tunnelling in light atom diffusion in metals: A comparison of resonant and non-resonant theoretical approaches

Chemical physics, 1980-04, Vol.47 (2), p.135-149

1980

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Theory of unimolecular reactions in one dimension

Chemical physics, 1978-01, Vol.29 (1), p.43-54

1978

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Calculation of tunnelling and over-barrier decay rates by a generalised method of beats

Chemical physics, 1978-01, Vol.29 (1), p.31-41

1978

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A density matrix approach to double well transfer: effects of asymmetry on the tunneling rate

Chemical physics, 1979-01, Vol.44 (3), p.315-335

1979

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The effects of couplings to symmetric and antisymmetric modes and minor asymmetry on the spectral properties of mixed-valence and related charge-transfer systems

Nature of the ground and first excited states of the radical cations of photosynthetic bacterial reaction centres

Electron transfer and energy transfer through bridged systems. I. Formalism

Hole, electron and energy transfer through bridged systems. VIII. Soliton molecular switching in symmetry-broken Brooker (polymethinecyanine) cations

Electron transfer and energy transfer through bridged systems. II. Tight binding linkages with zero asymptotic band gap

Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. I. Geometry

Spectroscopic evidence for electronically forbidden but vibronically allowed long-range electron transfer in norbornylog-bridged naphthalene-diacyanoethylene systems

Solitons in finite- and infinite-length negative-defect trans-polyacetylene and the corresponding Brooker (polymethinecyanine) cations. II. Charge density wave

Inequivalent XPS binding energies in symmetrical delocalized mixed-valence complexes

Finite field method calculations. VI. Raman scatering activities, infrared absorption intensities and higher-order moments: SCF and CI calculations for the isotopic derivatives of H2O and SCF calculations for CH4

Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N2, CO, CN−, HCN and HNC

Comparison of the effects of symmetric versus asymmetric H bonding on 2H and 17O nuclear quadrupole coupling constants: Application to formic acid and the hydrogen diformate anion

Finite field method calculations. V. Raman scattering activities and infrared absorption intensities for H2O, D2O, CH4 and CD4

Finite-field method calculations of molecular polarisabilities. II. Theoretical analysis of the correlation corrections with application to some pseudo-two-electron systems

Finite field method calculations. V. Raman scattering activities and infrared absorption intensities for H 2O, D 2O, CH 4 and CD 4

Finite-field method calculations of molecular polarisabilities. I. Theoretical basis and limitations of SCF and Galerkin treatments

Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N 2, CO, CN −, HCN and HNC

Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N 2

Finite-field method calculations. III. Dipole moment gradients, polarisability gradients and field-induced shifts in bond lengths, vibrational levels

A comparison of tunneling transfer theories for asymmetric isomerization reactions

Comparison of multipole moment expansions by direct summation or finite-field SCF methods with full electrostatic interaction energies: Application to CO and N2

The role of tunnelling in light atom diffusion in metals: A comparison of resonant and non-resonant theoretical approaches

Theory of unimolecular reactions in one dimension

Calculation of tunnelling and over-barrier decay rates by a generalised method of beats

A density matrix approach to double well transfer: effects of asymmetry on the tunneling rate

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