Search Results - "Burshtein, K. Ya"

MO calculations on the absorption spectra of organic dimers. The interaction energy between dipole moments of electronic transitions in monomers and the shape of absorption bands by Burshtein, K.Ya, Bagatur'yants, A.A., Alfimov, M.V.

“…The interaction energy between dipole moments of electronic transitions in the monomers and the shape of absorption bands of organic dimers are calculated by…”
Get full text

Photochemical reactions on the surface of a circular disk: a theoretical approach to kinetics in restricted two-dimensional space by Khairutdinov, R.F., Burshtein, K.Ya, Serpone, N.

“…Kinetics of decay of excited donor molecules B ∗ by static and diffusion-induced electron and energy transfer to acceptors (A) in restricted two-dimensional…”
Get full text

Computer simulation of the shape of absorption bands in electronic spectra ofJ-aggregates by Burshtein, K. Ya, Bagatur'yants, A. A., Alfimov, M. V.

Get full text

Synthesis on the basis of electrogenerated carbenes: 10. Correlation of the energetics of ?-elimination and nucleophilic substitution based on the results of quantum chemical calculations by Machkarovskaya, I. A., Burshtein, K. Ya, Petrosyan, V. A.

Get full text

Synthesis on the basis of electrogenerated carbenes: 9. Quantum chemical investigation ofS N2 reactions of polyhalomethanes and their anions by Machkarovskaya, I. A., Burshtein, K. Ya, Petrosyan, V. A.

Get full text

Quantum chemical estimation of the possibility of the formation of chloro- and bromomethane radical anions and their fragmentation paths in the gas phase and in solution by MNDO and AM1 techniques by Machkarovskaya, I. A., Burshtein, K. Ya, Petrosyan, V. A.

Get full text

Computer simulation of band shapes in electronic absorption spectra of dimers of organic dyes by Burshtein, K. Ya, Bagatur'yants, A. A., Alfimov, M. V.

Get full text

Crown-ether styryl dyes: 20. Synthesis, spectral properties, and complex formation of photochromic dyes based on 15-crown-5-substituted benzothiazole by Gromov, S. P., Levin, D. E., Burshtein, K. Ya, Krasnovskii, V. E., Dmitrieva, S. N., Golosov, A. A., Alfimov, M. V.

Get full text

MNDO/WS and a point-dipole model applied to ion formation in aqueous medium by Burshtein, K. Ya

Get full text

Quantum chemical investigation of allyl compounds with group iv elements. Communication I. Electron structure of molecules in the fundamental state by Burshtein, K. Ya, Shorygin, P. P.

Get full text

Calculation of the potential surface for nucleophilic substitution reactions taking place by the SN 2 mechanism with allowance for solvation by Burshtein, K. Ya, Isaev, A. N.

Get full text

Resonance Raman spectroscopy of polyene compounds (multimode systems). Polyacetylene synthesized from cyclooctatetraene by Berdyugin, V. V., Shorygin, P. P., Burshtein, K. Ya, Korshak, Yu. V., Tlenkopachev, M. A., Orlov, A. V.

Get full text

Syntheses based on the electrogeneration of carbenes. 6. Thermodynamics of the formation of carbenes from the anions of chloro- and bromomethanes by Machkarovskaya, I. A., Burshtein, K. Ya, Petrosyan, V. A.

Get full text

Pseudocontinual model of point dipoles for taking into account solvation in quantum-chemical calculations by Burshtein, K. Ya

Get full text

Quantum-chemical study of the cleavage of the C-X bonds in the radical ions CH3X? (X=F, Cl, Br, I) by Burshtein, K. Ya, German, . D.

Get full text

Quantum-chemical study of mechanism of z,e-isomerization of ?,?-disubstituted ?,?-unsaturated aldehydes by Burshtein, K. Ya, Grigor'eva, N. Ya

Get full text

Amine-imine tautomerism of 2-aminothiazolines by Ivanova, T. M., Burshtein, K. Ya, Mizrakh, L. I., Vasil'ev, A. M., Gvozdetskii, A. N.

Get full text

Factors affecting the direction of the reaction of bromomalonate ester with ?,?-unsaturated aldehydes by Burshtein, K. Ya, Kryshtal', G. V., Yanovskaya, L. A.

Get full text

Molecular modeling of the influence of complex formation on the conformation and electronic absorption spectra of crown-containing styryl dyes by Baskin, I. I., Burshtein, K. Ya, bagatur'yants, A. A., Gromov, S. P., Alfimov, M. V.

Get full text

Algorithms and programs for calculation of ground-state energies of complex organic compounds containing heteroatoms by Burshtein, K. Ya, Fundyler, I. N.

Get full text