.

XVIth INTERNATIONAL CONFERENCE HORIZONS IN HYDROGEN BOND RESEARCH AND GRADUATE SCHOOL HYDROGEN BONDING AND HYDROGEN TRANSFER

Roskilde Denmark, August 29 - 4 September, 2005







The n(AH) Band Formation in H-bonded Complexes in the Gas And Liquid Phases. Theory And Experiment.
V.P.Bulychev


Geometry Of Hydrogen Bonds In The Active Site Of PYP: NMR Study Of Model Complexes.
P.Tolstoy, B.Koeppe*, N.Golubev, G.Denisov, H.-H.Limbach*
* Institute of Chemistry, Free University Of Berlin, Germany


Blue Shifted Hydrogen Bonds. Car-Parrinello MD And Ab Initio Study On Selected Systems.
P.Rodziewicz*, K.S.Rutkowski, S.M.Melikova, A.Koll*
*Faculty of Chemistry, University of Wroclaw, Poland


Experimental And Theoretical Study Of Mechanisms Of n(HF) band Formation In The Gas Phase And Liquids In (CH3)2O...HF Complex.
N.N.Filippov, K.G.Tokhadze and S.E.Utkina
* Institut fur Physikalische und Theoretische Chemie der Technischen Universitat Braunschweig, Germany


Investigation Of The Active Site Structure Of Carbonic Anhydrase By NMR Spectroscopy.
S.B.Lesnichin, I.G.Shenderovich, G.S.Denisov, H.-H.Limbach*
*Institute of Chemistry, Free University Of Berlin, Germany


Anharmonic Effects In Quantum Chemical Calculatios Of 3,5-Dimethylpyrazole And Diphenylamidine H-bonded Complexes.
V.P.Bulychev, S.F.Bureiko, G.S.Denisov, and S.Yu.Kucherov


Hydrogen-Bonded Complexes Of Pyrazoles And Amidines With Acids: IR, NMR Spectra And DFT Calculations.
S.F.Bureiko, G.S.Denisov, S.Yu.Kucherov, and P.M.Tolstoy


FTIR Studies Of Libration n4, Combination And Overtone Bands Of CIH...CO System In Liquefied CO.
S.Melikova, K.Rutkowski, D.Shchepkin, P.Lipkowski*, A.Koll**
*Wroclaw University of Technology, Poland
**Faculty of Chemistry, University of Wroclaw, Poland


Car-Parrinello MD Study On Blue Shifted F3CH...FCD3 system in liquid N2.
P.Rodziewicz*, K.Rutkowski, S.Melikova, A.Koll*
*Faculty of Chemistry, University of Wroclaw, Poland


The n(OH/OD) Band Shape Of Strong Hydrogen Bonded Dimers Of Phosphinic Acids. Phenomenology And Formation Models.
R.E.Asfin, G.S.Denisov, and K.G.Tokhadze


The Formation Of The n(OH) And n(OD) Bands in The Spectra Of Dimers With Strong Hydrogen Bond.
R.E.Asfin


Study Of The n1 Band Shape of The H2O (D2o)...Hf (DF) Complexes In The Gas Phase.
V.P.Bulychev, L.A.Chuprov*, E.I.Gromova, P.G.Sennikov*, and K.G.Tokhadze
*Institute of High-Purity Substances, Nizhni Novgorod, Russia


17th INTERNATIONAL SCHOOL-SEMINAR "SPECTROSCOPY OF MOLECULES AND CRYSTALS"

The Crimea, Ukraine, September 20 - 26, 2005.


The Absorption Profiles Of Molecular Liquids In The Overtone Region And The Fundamental Bands Intensities Of The Greenhouse Gases.
Bocharov V.N., Burtsev A.P., Kolomiitsova T.D., Shchepkin D.N.


The n1 band shape of the H2O. . . HCl, H2O. . . HF and its deuterium isotopomers in the gas phase: experiment and anharmonic ab initio calculation.
V.P.Bulychev, E.I.Gromova, K.G.Tokhadze


Anharmonic effects in quantum-chemical calculations of 3, 5- dimethylpyrazole and diphenylformamidine H-bonded complexes.
V.P.Bulychev, S.F.Bureiko, G.S.Denisov, S.Yu.Kucherov


Spectroscopic studies and quantum chemical harmonic calculations of H-bonded complexes of N-containing molecules.
S.F.Bureiko, G.S.Denisov, S.Yu.Kucherov, P.M.Tolstoy



The Nineteenth Colloquium on HIGH RESOLUTION MOLECULAR SPECTROSCOPY

Salamanca, Spain, 2005, 11-16 September







FTIR STUDY OF THE SPECTRA OF HI IN MIXTURES WITH NOBLE GASES: A STRONG ABSORPTION DUE TO THE HI-Xe COMPLEX.
A.V.DOMANSKAYA, M.O.BULANIN, K.KERL* AND C.MAUL*
*Institut fur Physikalische und Theoretische Chemie der Technischen Universitat Braunschweig, Germany


A HIGH RESOLUTION ANALYSIS OF THE n4 PERPENDICULAR BAND OF FLUOROFORM.
A.V.DOMANSKAYA, N.N.FILIPPOV, M.V.TONKOV


LINE MIXING IN n2 AND n3 IR BANDS OF CH4 AT MODERATE PRESSURES OF HELIUM GAS.
N.N.FILIPPOV, I.M.GRIGORIEV, N.M.GRIGOROVICH AND M.V.TONKOV


DISTRIBUTED INFORMATION SYSTEM ON MOLECULAR SPECTROSCOPY.
A.BYKOV*, A.FAZLIEV*, L.SINITSA*, N.N.FILIPPOV, M.V.TONKOV and M.TRETYAKOV**
*Institute of atmospheric optics SB RAS, Tomsk
**Institute of applied physics RAS, Nizhnii Novgorod


PRESSURE BROADENING AND SHIFTING OF LOW J ROTATIONAL LINES IN PURE CHF3 GAS.
M.YU. TRETYAKOV*, M.A.KOSHELEV*, AND M.V.TONKOV
*Institute of applied physics RAS, Nizhnii Novgorod