ResearcherID Thomson Reuters  

Biczysko, Malgorzata
Create a ResearcherID badge for this researcher View publications analytics for this researcher
Close
ResearcherID: D-1300-2009
URL: http://www.researcherid.com/rid/D-1300-2009
Subject: Chemistry
Keywords: computational spectroscopy; computational chemistry ; molecular properties; ab initio electronic structure; physical chemistry, vibrational spectroscopy; ab initio calculation ; density functional theory; potential energy surfaces; vibronic states
ORCID: http://orcid.org/0000-0002-6439-5561
My Institutions (more details)
Primary Institution:
Sub-org/Dept: International Center of Quantum and Molecular Structures
Role:
Joint Affiliation:
Sub-org/Dept:
 
 

This list contains papers that I have authored.

publication(s)  
First Page Previous Page Page   of  9  Go Next Page Last Page
  Sort by:    Results per page: 
1.  Title: Challenges facing an understanding of the nature of low-energy excited states in photosynthesis.
 Author(s): Reimers, Jeffrey R; Biczysko, Malgorzata; Bruce, Douglas; et al.
 Source: Biochimica et biophysica acta Volume: 1857 Issue: 9 Pages: 1627-40 Published: 2016-Sep
 DOI: 10.1016/j.bbabio.2016.06.010
added
21-Sep-16
2.  Title: Combined theoretical and experimental study of the valence, Rydberg and ionic states of fluorobenzene
 Author(s): Palmer, Michael H.; Ridley, Trevor; Hoffmann, Soren Vronning; et al.
 Source: Journal of Chemical Physics Volume: 144 Issue: 20 Published: MAY 28 2016
 Times Cited: 5
 DOI: 10.1063/1.4949548
added
21-Sep-16
3.  Title: Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene
 Author(s): Palmer, Michael H.; Ridley, Trevor; Hoffmann, Soren Vronning; et al.
 Source: Journal of Chemical Physics Volume: 144 Issue: 12 Published: MAR 28 2016
 Times Cited: 3
 DOI: 10.1063/1.4944078
added
21-Sep-16
4.  Title: Reliable vibrational wavenumbers for C=O and N-H stretchings of isolated and hydrogen-bonded nucleic acid bases
 Author(s): Fornaro, Teresa; Biczysko, Malgorzata; Bloino, Julien; et al.
 Source: Physical Chemistry Chemical Physics Volume: 18 Issue: 12 Pages: 8479-8490 Published: MAR 28 2016
 Times Cited: 4
 DOI: 10.1039/c5cp07386c
added
21-Sep-16
5.  Title: Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules (vol 119, pg 2058, 2015)
 Author(s): Piccardo, Matteo; Penocchio, Emanuele; Puzzarini, Cristina; et al.
 Source: Journal of Physical Chemistry a Volume: 120 Issue: 20 Pages: 3754 Published: MAY 26 2016
 Times Cited: 0
 DOI: 10.1021/acs.jpca.6b04648
added
21-Sep-16
6.  Title: Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects
 Author(s): Hodecker, Manuel; Biczysko, Malgorzata; Dreuw, Andreas; et al.
 Source: Journal of Chemical Theory and Computation Volume: 12 Issue: 6 Pages: 2820-2833 Published: JUN 2016
 Times Cited: 7
 DOI: 10.1021/acs.jctc.6b00121
added
21-Sep-16
7.  Title: Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity
 Author(s): Bloino, Julien; Biczysko, Malgorzata; Barone, Vincenzo
 Source: Journal of Physical Chemistry a Volume: 119 Issue: 49 Pages: 11862-11874 Published: DEC 10 2015
 Times Cited: 16
 DOI: 10.1021/acs.jpca.5b10067
added
24-Feb-16
8.  Title: 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
 Author(s): Kvapilova, Hana; Vlcek, Antonin, Jr.; Barone, Vincenzo; et al.
 Source: Journal of Physical Chemistry a Volume: 119 Issue: 40 Pages: 10137-10146 Published: OCT 8 2015
 Times Cited: 6
 DOI: 10.1021/acs.jpca.5b07585
added
24-Feb-16
9.  Title: CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study
 Author(s): Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien; et al.
 Source: Journal of Chemical Theory and Computation Volume: 11 Issue: 9 Pages: 4342-4363 Published: SEP 2015
 Times Cited: 20
 DOI: 10.1021/acs.jctc.5b00580
added
24-Feb-16
10.  Title: Computational Spectroscopy Tools for Molecular Structure Analysis
 Author(s): Puzzarini, Cristina; Biczysko, Malgorzata; Cid, MM; et al.
 Source: Structure Elucidation in Organic Chemistry: the Search For the Right Tools Pages: 27-64 Published: 2015
 Times Cited: 7
added
24-Feb-16
publication(s)  
First Page Previous Page Page   of  9  Go Next Page Last Page
  Sort by:    Results per page: