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List of works by Marek Z Zgierski

Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives

scientific article published in August 2005

Combined Experimental and Computational Study of Intramolecular Charge Transfer In p-N,N-Dimethylamino-p′-cyano-diphenylacetylene ⬇️

scientific article published on December 21, 2010

Conformational pathways of saturated six-membered rings. A static and dynamical density functional study

scientific article

Correctionto Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study.

scientific article published on 22 January 2014

Covalent Functionalization of Boron Nitride Nanotubes via Reduction Chemistry

scientific article published on 18 November 2015

DFT analysis of co-alkyl and co-adenosyl vibrational modes in B12-cofactors.

scientific article published on July 2006

Direct observation of electronic relaxation dynamics in adenine via time-resolved photoelectron spectroscopy

scientific article published in March 2004

Discerning vibronic molecular dynamics using time-resolved photoelectron spectroscopy

scientific article published in Nature

Doming modes and dynamics of model heme compounds

scientific article

Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment

scientific article published in March 2005

Experimental and theoretical studies of the conformational structures of the mixed clusters of 1-cyanonaphthalene with water

scientific article published in December 2005

Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials.

scientific article published in August 2006

FeNO Structure in Distal Pocket Mutants of Myoglobin Based on Resonance Raman Spectroscopy†

scientific article published on 01 May 2003

Geometries and excited-state dynamics of van der Waals dimers and higher clusters of 1-cyanonaphthalene

scientific article published in December 2005

High-resolution spectroscopy of jet-cooled 1,1'-diphenylethylene: electronically excited and ionic states of a prototypical cross-conjugated system

scientific article published on 20 February 2011

Mechanism and dynamics of azobenzene photoisomerization

scientific article published in July 2003

Mesitylthio-oligothiophenes in various redox states. Molecular and electronic views as offered by spectroscopy and theory.

scientific article

Molecular orbital analysis of anomalous trans effect in cobalamins

scientific article published in July 2005

Nuclear Resonance Vibrational Spectra of Five-Coordinate Imidazole-Ligated Iron(II) Porphyrinates ⬇️

scientific article published on January 13, 2012

O-2 Substituted pyranosyl oxacarbenium ions are C-2-O-2 2-fold rotors with a strong syn preference

scientific article

On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases

scientific article published on 01 October 2005

Photoinduced charge-transfer dehydrogenation in a gas-phase metal-DNA base complex: Al-cytosine

scientific article

Photophysical and spectroscopic manifestations of the low-lying pisigma* state of 4-(dimethylamino)benzethyne: solvent-polarity dependence of fluorescence and excited-state absorptions

scientific article

Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles

scientific article published in August 2005

Photophysics of aromatic molecules with low-lying pi sigma* states: fluorinated benzenes

scientific article

Primary processes underlying the photostability of isolated DNA bases: adenine

scholarly article

Quantitative vibrational dynamics of iron in carbonyl porphyrins

scientific article

Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

scientific article

Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study.

scientific article published on 20 August 2013

Raman Detection of “Ambiguous” Conjugated Biradicals: Rapid Thermal Singlet-to-Triplet Intersystem Crossing in an Extended Viologen

scientific article published on 01 January 2008

Resonance Raman spectroscopy of the B1u region of benzene: Analysis in terms of pseudo‐Jahn–Teller distortion

Role of the pisigma* state in molecular photophysics

scientific article

Spectroscopy and photophysics of 1,4-bis(phenylethynyl)benzene: effects of ring torsion and dark pi sigma* state

scientific article

Super-high energy-rich nitrogen cluster N60

The effect of substituents on the vibronic structure of the electronic spectra of α,ω-dithienylpolyenes: A computational study

scientific article published on 15 July 2001

The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne

scientific article published in April 2008

The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules

scientific article

The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile ⬇️

scientific article published on March 11, 2011

The two-conformer hypothesis: 2,3,4,6-tetra-O-methyl-mannopyranosyl and -glucopyranosyl oxacarbenium ions

scientific article

Theoretical Simulation of the Zeke Spectra of Naphthalene From Single Vibronic Levels of S1

scientific article published in 1999

Theoretical analysis of electronic absorption spectra of vitamin B12 models

scientific article published on 22 October 2001

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

scientific article

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B[sub 12]

scientific article published in 2009

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin

scientific article

Vibrational Analysis of Methylcobalamin

scientific article published in February 2002

Vibrational Dynamics of Biological Molecules: Multi-quantum Contributions

scientific article

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