| 1 |
Impact of vacancy defects in single-walled carbon nanotube on the structural properties of covalently attached aromatic diisocyanates
Kozlowska M, Goclon J, Rodziewicz P
Applied Surface Science, 362, 1, 2016 |
| 2 |
Photocatalytic degradation of hazardous Food Yellow 13 in TiO2 and ZnO aqueous and river water suspensions
Regulska E, Brus DM, Rodziewicz P, Sawicka S, Karpinska J
Catalysis Today, 266, 72, 2016 |
| 3 |
Structural flexibility of the sulfur mustard molecule at finite temperature from Car-Parrinello molecular dynamics simulations
Lach J, Goclon J, Rodziewicz P
Journal of Hazardous Materials, 306, 269, 2016 |
| 4 |
Degeneracy Lifting Effect in the FTIR Spectrum of Fluoroform Trapped in a Nitrogen Matrix. An Experimental and Car-Parrinello Molecular Dynamics Study
Asfin RE, Melikova SM, Domanskaya AV, Rodziewicz P, Rutkowski KS
Journal of Physical Chemistry A, 120(20), 3497, 2016 |
| 5 |
Covalent functionalization of single-walled carbon nanotubes through attachment of aromatic diisocyanate molecules from first principles
Goclon J, Kozlowska M, Rodziewicz P
Chemical Physics Letters, 619, 103, 2015 |
| 6 |
Noncovalent functionalization of single-walled carbon nanotubes by aromatic diisocyanate molecules: A computational study
Goclon J, Kozlowska M, Rodziewicz P
Chemical Physics Letters, 598, 10, 2014 |
| 7 |
Ab initio study of NMR shielding of alkali earth metal ions in water complexes and magnetic moments of alkali earth metal nuclei
Antusek A, Rodziewicz P, Kedziera D, Kaczmarek-Kedziera A, Jaszunski M
Chemical Physics Letters, 588, 57, 2013 |
| 8 |
Formic Acid Dimerization: Evidence for Species Diversity from First Principles Simulations
Rodziewicz P, Doltsinis NL
Journal of Physical Chemistry A, 113(22), 6266, 2009 |
| 9 |
Unusual spectroscopic properties of CF3H dissolved in liquified Ar, N-2, CO, and CO2
Melikova SM, Rutkowski KS, Rodziewicz P, Koll A
Chemical Physics Letters, 352(3-4), 301, 2002 |
