Add to ORKGThe universal model for desing of the structural-dynamic properties in the molecular crystals based on the representation of the intermolecular interactions as the atom-atomic potentials (AAP) has been created. The theoretical and experimental methods for investigation of the different aspects of the polymorphic transformations and order-disorder processes in the organic crystals on base of the low-frequency oscillating spectroscopy and AAP have been developed. The rotational re-orientation anisotropy of the molecules in the crystal has been discovered experimentally and substantiated theoretically.Available from VNTIC / VNTIC - Scientific & Technical Information Centre of RussiaSIGLERURussian Federatio
The structural dissymmetry of crystals with coordinated groups of atoms performing some motion in th...
We have developed a new lattice dynamics sheme for handling large amplitude librational motions or h...
Crystal potential energy calculations and lattice dynamical calculations are presented for the high-...
This thesis develops the use of lattice dynamical methods for organic molecular crystals. Rigid mole...
The original calculation techniques and algorithms of meansquare amplitudes of oscillations, oscilla...
This chapter illustrates the dynamics of molecular crystals. The intramolecular vibrations and inter...
The work covers the reactions of the organic crystals, first of all, reactions of the nucleophilic s...
Recent developments in the theory and the application of determination of intermolecular forces are ...
The use of vibrational spectroscopy in the study of structures, molecular motions and intermolecular...
Lattice dynamical calculations have been performed for two molecular crystal systems, 7,7,8,8-tetrac...
New symmetrized angular auto-correlation functions (ACFs) are applied to the theoretical description...
The theory of hindered molecular motion (HMM) in crystals, extended by taking the molecular site sym...
In a survey of some structural and energetic aspects of crystal polymorphism, definitions are propos...
Rigid-body, k = 0 phonon frequencies have been calculated within the crystal structure modeling prog...
A unified theory for the rotational dynamics of molecular crystals with orientational phase transiti...
The structural dissymmetry of crystals with coordinated groups of atoms performing some motion in th...
We have developed a new lattice dynamics sheme for handling large amplitude librational motions or h...
Crystal potential energy calculations and lattice dynamical calculations are presented for the high-...
This thesis develops the use of lattice dynamical methods for organic molecular crystals. Rigid mole...
The original calculation techniques and algorithms of meansquare amplitudes of oscillations, oscilla...
This chapter illustrates the dynamics of molecular crystals. The intramolecular vibrations and inter...
The work covers the reactions of the organic crystals, first of all, reactions of the nucleophilic s...
Recent developments in the theory and the application of determination of intermolecular forces are ...
The use of vibrational spectroscopy in the study of structures, molecular motions and intermolecular...
Lattice dynamical calculations have been performed for two molecular crystal systems, 7,7,8,8-tetrac...
New symmetrized angular auto-correlation functions (ACFs) are applied to the theoretical description...
The theory of hindered molecular motion (HMM) in crystals, extended by taking the molecular site sym...
In a survey of some structural and energetic aspects of crystal polymorphism, definitions are propos...
Rigid-body, k = 0 phonon frequencies have been calculated within the crystal structure modeling prog...
A unified theory for the rotational dynamics of molecular crystals with orientational phase transiti...
The structural dissymmetry of crystals with coordinated groups of atoms performing some motion in th...
We have developed a new lattice dynamics sheme for handling large amplitude librational motions or h...
Crystal potential energy calculations and lattice dynamical calculations are presented for the high-...