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Autor publikacji Małgorzata S. Biczysko
2018
Hydrogen detachment driven by a repulsive 1πσ* state - an electron localization function study of 3-amino-1,2,4-triazole.
Bil Andrzej, Latajka Zdzisław, Biczysko Małgorzata S.
2012
Toward anharmonic computations of vibrational spectra for large molecular systems.
Barone Vincenzo, Biczysko Małgorzata S., Bloino Julien, Borkowska-Panek Monika, Carnimeo Ivan, Panek Paweł
2011
Reinvestigation of spectroscopic properties for ammonia-hydrogen halide complexes from Car-Parrinello molecular dynamics.
Panek Paweł, Biczysko Małgorzata S., Latajka Zdzisław
2010
Harmonic and anharmonic vibrational frequency calculations with the double-hybrid B2PLYP method: analytic second derivatives and benchmark studies.
Biczysko Małgorzata S., Panek Paweł, Scalmani G., Bloino Julien, Barone Vincenzo
2002
Accuracy of theoretical potential energy profiles along proton-transfer coordinate for XH-NH3 (X=F, Cl, Br) hydrogen-bonded complexes.
Biczysko Małgorzata S., Latajka Zdzisław
2002
Proton transfer in strongly hydrogen-bonded molecular complexes: matrix effects.
Barnes Austin J., Latajka Zdzisław, Biczysko Małgorzata S.
2000
Solvent effect on hydrogen bonded ammonia-hydrogen halide complexes: continuum medium versus cluster models.
Abkowicz-Bieńko Agnieszka J., Biczysko Małgorzata S., Latajka Zdzisław
1999
The influence of water molecules on the proton position in H3N-HX (X = F, Cl, Br) complexes.
Biczysko Małgorzata S., Latajka Zdzisław