Research Topics
| Boris F MinaevSummaryAffiliation: Royal Institute of Technology Country: Sweden Publications
| Collaborators |
Detail Information
Publications
Response calculations of electronic and vibrational transitions in molecular oxygen induced by interaction with noble gasesBoris F Minaev
Cherkassy Engineering and Technological Institute, 257006 Cherkassy, Ukraine
Spectrochim Acta A Mol Biomol Spectrosc 59:3387-410. 2003..Collision-induced infrared vibrational transitions in a number of molecular oxygen excited states were studied and shown to be state selective...
Ab initio study of the ground state properties of molecular oxygenBoris F Minaev
Department of Chemistry, State University of Technology, Cherkassy, Ukraine
Spectrochim Acta A Mol Biomol Spectrosc 60:1027-41. 2004..Potential energy curves for 10 excited bound states and the internuclear distance dependence of the studied properties are also presented...
Theoretical study of the external heavy atom effect on phosphorescence of free-base porphin moleculeBoris Minaev
State University of Technology, Cherkassy 18006, Ukraine
Spectrochim Acta A Mol Biomol Spectrosc 60:3213-24. 2004..This can be connected with the enhancement of spin-orbit coupling in the H2P molecule...
Calculation of the fine structure and intensity of the singlet-triplet transitions in the imidogen radicalBoris Minaev
State University of Technology, Cherkassy 18006, Ukraine
Spectrochim Acta A Mol Biomol Spectrosc 61:1105-12. 2005..5 s). The zero field splitting and spin-rotation coupling constants are calculated for the ground state by different methods and advantage of the density functional theory is stressed...
Ab initio study of low-lying triplet states of the lithium dimerBoris Minaev
State University of Technology, Cherkassy 18006, Ukraine
Spectrochim Acta A Mol Biomol Spectrosc 62:790-9. 2005..This is in agreement with experimental rovibronic analysis of the 1(3)Sigmag+--a3Sigmau+ band system in which the triplet structure was not resolved. The radiative lifetime of the a3Sigmau+ state is predicted to exceed 10 h...
One- and two-photon absorptions in asymmetrically substituted free-base porphyrins: a density functional theory studyPrakash Chandra Jha
Theoretical Chemistry, Royal Institute of Technology, AlbaNova, Stockholm, Sweden
J Chem Phys 128:074302. 2008..Though the calculated two-photon absorption cross sections are overestimated, the qualitative trends are reproduced and help understanding the whole genesis of spectra of these asymmetrically substituted H(2)P derivatives...
