Soliton states in polyacetylene chains with consideration of electron correlation V. A. Kupríevich OriginalPaper Pages: 369 - 376
Instability of closed-shell Hartree-Fock solutions within the framework of the geminal approach P. KaradakovO. Kastan'o OriginalPaper Pages: 377 - 383
Quantum-chemical simulation of the active center of vitamin B12 I. P. BeletskiiK. B. Yatsimirskii OriginalPaper Pages: 383 - 391
X-ray photoelectron and quantum-chemical investigation of the electronic structure of palladium chloride S. G. GagarinYu. A. TeterinYu. V. Plekhanov OriginalPaper Pages: 391 - 400
Dependence of the δ31P chemical shift on the electronic and stereochemical structure of compounds of tricoordinated phosphorus A. S. Tarasevich OriginalPaper Pages: 401 - 408
Calculation of conformational equilibrium of biscarbocyanines from their absorption spectra G. G. DyadyushaA. D. KachkovskiiA. P. Kucherov OriginalPaper Pages: 409 - 417
Quantum dynamic calculation for gas-phase nucleophilic substitution (SN2) reactions V. M. Ryaboi OriginalPaper Pages: 417 - 424
Reasons for the “alpha” coefficient anomaly in the brønsted relation for the ionization of CH acids I. O. ShapiroN. G. ZharovaA. I. Shatenshtein OriginalPaper Pages: 425 - 430
Ground-state degeneracy and slip energy in fractional-valency donor-acceptor molecular crystals I. I. UkrainskiiO. V. Shramko Brief Communications Pages: 444 - 448
Conjugated-molecule dipole polarizability in the spin-Hamiltonian method V. O. CheranovskiiYu. F. Pedash Brief Communications Pages: 449 - 452
Electronic structure and absorption spectra of verdazyl radicals, the corresponding cations, and leuco compounds L. S. DegtyarevA. D. KachkovskiiG. G. Dyadyusha Brief Communications Pages: 452 - 456
Nonempirical gradient quantum-chemical study of the addition of aminonitrene to ethylene M. A. Lazareva Brief Communications Pages: 456 - 460
Nuclear magnetic isoscreening lines for O-O and O-H bonds: The second-order magnetic parameters of the H2O2 molecule A. Yu. SadykovaR. M. Aminova Brief Communications Pages: 460 - 464
Second-order magnetic parameters of PH3 and P(CH3)3 and the magnetic isoscreening lines for P-H and P-C bonds R. M. AminovaA. Yu. Sadykova Brief Communications Pages: 465 - 468
Exact analytic computer calculation on a four-center integral with slater orbitals L. V. ArtamonovE. V. MeinarovichA. B. Roitsin Brief Communications Pages: 468 - 471
Chemical modification of dispersed silica by pyrimidine derivatives V. A. BasyukV. I. BogomazA. A. Chuiko Brief Communications Pages: 472 - 476
Desorption of catalytic oxidation products of o-xylene from the surface of carbon catalysts I. A. TarkovskayaA. Yu. Lukomskaya Brief Communications Pages: 476 - 479
NMR relaxation data on the microstructure of aqueous solutions of alkali-metal salts and hydroxides V. I. ChizhikV. I. MikhailovPak Chong Su Brief Communications Pages: 480 - 483
Likely conformation types for urethane macrorings and their effects on polyrotaxane formation T. É. LipatovaL. F. Kosyanchuk Brief Communications Pages: 484 - 487