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The first principle studies of the structural and vibrational properties of solid -HMX under compression

Theoretical investigations of the local structure distortion and relationship between the EPR parameter and spin-orbit coupling coefficients for CsCdX3:Ni2+(X = Cl, Br) systems

Investigation of local lattice structure around Cr(3+) ions at the trigonal and tetragonal sites in RbCdF(3): Cr(3+) crystal

Structural, spectral characterization and electron paramagnetic resonance studies of Ni(2+) ions in various compounds: KZnF(3), CdCl(2), CdBr(2) and CsMgI(3)

Spin-Hamiltonian parameters and tetragonal distortion due to the Jahn-Teller effect for Cu2+centres in trigonal Zn(BrO3)center dot 6H2O crystal

Theoretical calculations of the spin-Hamiltonian parameters from a two-mechanism model for Cr5+ions in MVO3 (M = Li, Na, K, Rb) crystals

The defect structure and EPR parameters for Er3+ in molybdates: a complete energy matrices study

Investigations on the g factors of the ground and excited states for Cu2+ions in ZnO crystal

The pressure-induced phase transition of the solid -HMX

Theoretical study of local lattice structure of (FeOF5)(4-) cluster in diamagnetic pervoskite RbCdF3

Changes of properties of the soliton with temperature under influences of structure disorder in the alpha-helix protein molecules with three channels

Structural and electronic properties of silver-doped gold clusters Au(n)Ag(v) (2 <= n <= 10; v=0,+/- 1): comparison with pure gold clusters

Investigations of the spin-Hamiltonian parameters for Er3+ions in AlN crystal

Effect on the EPR and local lattice structure distortion of V(3+) ion doping corundum crystal: three models studied

Local defect structures and EPR studies on (FeO6)9-and (FeO4)5-clusters in YGG: Fe3+system

Ab initio calculation of the geometric, electronic and magnetic properties of neutral and anionic Au(n)Pd (n=1-9) clusters

Density functional study of the structural and electronic properties of tetra-aluminum oxide image omitted (3 n 8,=0,-1) clusters

Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr(3+) centres in oxides and fluorides series

Structural, electronic and magnetic properties of gold cluster doped with calcium: Au(n)Ca (n=1-8)

Theoretical study of spin-singlet contributions to zero-field splitting of a 3d(6) ion in a trigonal ligand field and applications to Fe(2+) in FeSiF(6)center dot 6H(2)O and FeCO(3)

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Molecular Physics

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Molecular Physics

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Molecular Physics

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Molecular Physics

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