| 1 |
Conformational Equilibria and Molecular Structures of Model Sulfur-Sulfur Bridge Systems: Diisopropyl Disulfide
Zhang JQ, Ye HX, Jin Y, Gou Q, Biczysko M, Feng G
Journal of Physical Chemistry A, 123(50), 10714, 2019 |
| 2 |
Accurate Vibrational-Rotational Parameters and Infrared Intensities of 1-Bromo-1-fluoroethene: A Joint Experimental Analysis and Ab Initio Study
Charmet AP, Stoppa P, Giorgianni S, Bloino J, Tasinato N, Camimeo I, Biczysko M, Puzzarini C
Journal of Physical Chemistry A, 121(17), 3305, 2017 |
| 3 |
Structural and Vibrational Properties of lodopentafluorobenzene: A Combined Raman and Infrared Spectral and Theoretical Study
Palmer MH, Biczysko M, Peterson KA, Stapleton CS, Wells SP
Journal of Physical Chemistry A, 121(41), 7917, 2017 |
| 4 |
Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules (vol 119, pg 2058, 2015)
Piccardo M, Penocchio E, Puzzarini C, Biczysko M, Barone V
Journal of Physical Chemistry A, 120(20), 3754, 2016 |
| 5 |
Anharmonicity Effects in IR Spectra of [Re(X)(CO)(3)(alpha-diimine)] (alpha-diimine=2,2'-bipyridine or pyridylimidazo[1,5-a]pyridine; X = Cl or NCS) Complexes in Ground and Excited Electronic States
Kvapilova H, Vlcek A, Barone V, Biczysko M, Zalis S
Journal of Physical Chemistry A, 119(40), 10137, 2015 |
| 6 |
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity
Bloino J, Biczysko M, Barone V
Journal of Physical Chemistry A, 119(49), 11862, 2015 |
| 7 |
Hydrogen-Bonding Effects on Infrared Spectra from Anharmonic Computations: Uracil-Water Complexes and Uracil Dimers
Fornaro T, Burini D, Biczysko M, Barone V
Journal of Physical Chemistry A, 119(18), 4224, 2015 |
| 8 |
Toward Feasible and Comprehensive Computational Protocol for Simulation of the Spectroscopic Properties of Large Molecular Systems: The Anharmonic Infrared Spectrum of Uracil in the Solid State by the Reduced Dimensionality/Hybrid VPT2 Approach
Fornaro T, Carnimeo I, Biczysko M
Journal of Physical Chemistry A, 119(21), 5313, 2015 |
| 9 |
Microsolvation of 2-Thiouracil: Molecular Structure and Spectroscopic Parameters of the Thiouracil-Water Complex
Puzzarini C, Biczysko M
Journal of Physical Chemistry A, 119(21), 5386, 2015 |
| 10 |
Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
Piccardo M, Penocchio E, Puzzarini C, Biczysko M, Barone V
Journal of Physical Chemistry A, 119(10), 2058, 2015 |
