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Autor publikacji J. Mavri
2008
Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acidN-oxide. A new computational approach and infrared, Raman and INS study.
Stare J., Panek Jarosław, Eckert J., Grdadolnik J., Mavri J., Hadži D.
2007
Car-Parrinello molecular dynamics study of anharmonic systems: a Mannich base in solution.
Jezierska Aneta, Panek Jarosław, Borštnik U., Mavri J., Janežič D.
2007
Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuum.
Jezierska Aneta, Panek Jarosław J., Koll Aleksander, Mavri J.
2006
Potential energy shape for the proton motion in hydrogen bonds reflected in infrared and NMR spectra.
Denisov G. S., Mavri J., Sobczyk Lucjan
2005
Influence of substituents on the anharmonicity of ν s(OH) vibration in phenol derivatives explored by experimental and theoretical approach.
Czarnik-Matusewicz Bogusława, Rospenk Maria, Koll Aleksander, Mavri J.
2004
Density functional calculation of the 2D potential surface and deuterium isotope effect on 13C chemical shifts in picolinic acid N-oxide. Comparison with experiment.
Stare J., Jezierska Aneta, Ambrožič G., Košir I. J., Kidrič J., Koll Aleksander, Mavri J., Hadži D.
2003
Molecular dynamics study of the tautomeric equilibrium in the 4-nitro-and 2,4,6-trichloro derivatives of 2-(N, N-dialkyloaminomethyl)phenol.
Fedorowicz Adam, Koll Aleksander, Mavri J.
2002
The proton localization in solid 2-(N-Diethylamino-N-oxomethyl)-4,6-dichlorophenol by quantum mechanical calculations.
Koll Aleksander, Jański Jerzy, Mavri J.
1998
Molecular dynamics study of the tautomeric equilibrium in the Mannich base.
Fedorowicz Adam, Mavri J., Bala P., Koll Aleksander