Neutron powder diffraction studies of calcite on heating towards the orientational order–disorder phase transition show that the phase transition is not a simple analogue of an Ising-like transition, but more similar to a rotational analogue of Lindemann melting.\ud The transition is precipitated by the librational amplitude\ud of the carbonate molecular ions exceeding a critical\ud value rather than a result of a statistical entropy of\ud ‘wrong’ orientations. Using tested interatomic potentials\ud the single-particle orientational potential and nearest neighbour orientational interactions have been calculated
Neutron diffraction experiments have been performed on a single crystal of the high-temperature phas...
We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering d...
The neutron powder diffractometer located at the Dhruva reactor, Bhabha Atomic Research Centre (BARC...
Neutron powder diffraction studies of calcite on heating towards the orientational order–disorder ph...
Molecular-dynamics calculations have been carried out on the ordered (low-temperature) and orientati...
Orientational disorder of the molecular carbonate anions in BaCO3, which occurs naturally as the min...
PhD ThesesThe orientations of chemical bonds and molecular groups are an important characteristic o...
A member of the series M(I)M(III)(ND3)6(ClO4)2X2, CsC0(ND3)6(ClO4)2Cl2, has been examined by single ...
10 págs.; 7 figs.; 1 tab.The structures of the liquid, glass (i.e., amorphous), rotator-phase (RP) c...
Single crystal neutron elastic scattering data have been collected at several temperatures for deute...
Globular molecules of 1-chloroadamantane form a plastic phase in which the molecules rotate in a res...
Neutron diffraction experiments performed on orientationally disordered neopentane (C(CD3)4) single ...
Molecular dynamics computer simulations have been made of the ordered low-temperature and orientatio...
A unified theory for the rotational dynamics of molecular crystals with orientational phase transiti...
In this paper, it is shown how the formalism of the canonical symmetry adapted functions can be used...
Neutron diffraction experiments have been performed on a single crystal of the high-temperature phas...
We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering d...
The neutron powder diffractometer located at the Dhruva reactor, Bhabha Atomic Research Centre (BARC...
Neutron powder diffraction studies of calcite on heating towards the orientational order–disorder ph...
Molecular-dynamics calculations have been carried out on the ordered (low-temperature) and orientati...
Orientational disorder of the molecular carbonate anions in BaCO3, which occurs naturally as the min...
PhD ThesesThe orientations of chemical bonds and molecular groups are an important characteristic o...
A member of the series M(I)M(III)(ND3)6(ClO4)2X2, CsC0(ND3)6(ClO4)2Cl2, has been examined by single ...
10 págs.; 7 figs.; 1 tab.The structures of the liquid, glass (i.e., amorphous), rotator-phase (RP) c...
Single crystal neutron elastic scattering data have been collected at several temperatures for deute...
Globular molecules of 1-chloroadamantane form a plastic phase in which the molecules rotate in a res...
Neutron diffraction experiments performed on orientationally disordered neopentane (C(CD3)4) single ...
Molecular dynamics computer simulations have been made of the ordered low-temperature and orientatio...
A unified theory for the rotational dynamics of molecular crystals with orientational phase transiti...
In this paper, it is shown how the formalism of the canonical symmetry adapted functions can be used...
Neutron diffraction experiments have been performed on a single crystal of the high-temperature phas...
We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering d...
The neutron powder diffractometer located at the Dhruva reactor, Bhabha Atomic Research Centre (BARC...