PUBLICATIONS
Anna Halasa,
Igor Reva, Leszek Lapinski, Maciej J. Nowak, and Rui
Fausto, Conformational Changes in Thiazole-2-carboxylic
Acid Selectively Induced
by Excitation with Narrowband Near-IR and UV Light, J.
Phys. Chem. A 2016, 120, 2078−2088.
Anna Halasa, Leszek Lapinski, Hanna Rostkowska, Igor
Reva, and Maciej J. Nowak, Tunable Diode Lasers as a
Tool for Conformational Control: The Case of
Matrix-Isolated Oxamic Acid; J. Phys. Chem. A, 119 (
2015 ) 2203-2210.
Igor Reva, Maciej J. Nowak, Leszek Lapinski and Rui
Fausto, Hydrogen atom transfer reactions in thiophenol:
photogeneration of two new thione isomers; Phys. Chem.
Chem. Phys., 17 (2015) 4888-4898.
Anna Halasa, Leszek Lapinski, Igor Reva, Hanna
Rostkowska, Rui Fausto, Maciej J. Nowak, Three
Conformers of 2-Furoic Acid: Structure Changes Induced
with Near-IR Laser Light; J. Phys. Chem. A 119 (2015)
1037-1047.
Anna Halasa, Leszek Lapinski, Hanna Rostkowska, and
Maciej J. Nowak, Intramolecular Vibrational Energy
Redistribution in 2-Thiocytosine:
SH Rotamerization Induced by Near-IR Selective
Excitation of NH2 Stretching Overtone; J.
Phys. Chem. A, 119 (2015) 9262-9271.
Mathias Steglich, Jan Fulara, Surajit Maity, Adam Nagy,
and John P. Maier; Electronic spectra of linear HC5H
and cumulene carbene H2C5;
J. Chem. Phys. 142 (2015) 244311.
Arghya Chakraborty, Jan Fulara, and John P. Maier,
Electronic spectra of oxygen containing polycyclic
hydrocarbon cations and the protonated analogues;
J. Chem. Phys. 143 (2015) 084312.
Arghya Chakraborty, Jan Fulara, and John P. Maier, The
Electronic Spectrum of the Fulvenallenyl Radical; Angew.
Chem. Int. Ed. (2015), 54, 1-5.
Nihal Kuş,Marta Sofia Henriques, José António Paixao,
Leszek Lapinski, and Rui Fausto, Crystal Structure,
Matrix-Isolation FTIR, and UV-Induced Conformational
Isomerization of 3-Quinolinecarboxaldehyde, J. Phys.
Chem. A, 118 (2014), pp 8708–8716.
Anna Halasa, Leszek Lapinski, Igor Reva, Hanna
Rostkowska, Rui Fausto, and Maciej J. Nowak,
Near-Infrared Laser-Induced Generation of Three Rare
Conformers of Glycolic Acid, J. Phys. Chem. A, , 118
(2014), pp 5626–5635.
Leszek Lapinski, Igor Reva, Hanna Rostkowska, Rui
Fausto, and Maciej J. Nowak, Near-IR-Induced,
UV-Induced, and Spontaneous Isomerizations
in 5-Methylcytosine and 5-Fluorocytosine, J. Phys. Chem.
B, 118 (2014), pp 2831–2841.
Lapinski L. , Reva I.D. , Rostkowska-Kowalczyk H.,
Halasa A. , Fausto R. , Nowak M.J., "Conformational
Transformation in Squaric Acid Induced
by Near-IR Laser Light", J. Phys. Chem. A, 117 (2013)
5251-5259.
Garkusha I. , Nagy A. , Fulara J. , Rode M.F. ,
Sobolewski A.L. , Maier J.P., "Electronic Spectra and
Reversible Photoisomerization of Protonated Naphthalenes
in Solid Neon", J. Phys. Chem. A, 117 (2013) 351-360.
Nunes C.M. , Lapinski L. , Fausto R. , Reva I.D.,
"Near-IR laser generation of a high-energy conformer of
L-alanine and the mechanism of its decay
in a low-temperature nitogen matrix", J. Chem. Phys.,
138 (2013) 125101-1-12.
Wysokiński R. , Helios K. , Lapinski L. , Nowak M.J. ,
Michalska D., "Matrix isolation infrared spectroscopic
and quantum chemical studies on the rotational isomers
of orotic acid (6-carboxyuracil)", Vibrational
Spectroscopy, 64 (2013) 108-118.
B.M. Giuliano, I. Reva, L. Lapinski, R. Fausto "Infrared
spectra and UV-tunable laser induced photochemistry of
matrix-isolated phenol and phenol-d5"
J. Chem. Phys. 136 (2012) 024505.
I. Reva, B.I.A.N. Almeida, L. Lapinski, R. Fausto
"UV-induced photoisomerizations of maleic hydrazide" J.
Molec. Struct. 1025 (2012) 74.
R. Fausto, L. Lapinski, I. Reva "Special Issue:
Light-Induced processes in Cryogenic Matrices. Preface"
J. Molec. Struct. 1025 (2012) 1.
I. Reva, M.J. Nowak, L. Lapinski, R. Fausto "Spontaneous
tunneling and near-infrared-induced interconversion
between the amino-hydroxy conformers
of cytosine" J. Chem. Phys. 136 (2012) 064511.
N. Kus, A. Sharma, I. Reva, L. Lapinski, R. Fausto
"Using heavy atom rare gas matrix to control the
reactivity of 4-methoxybenzaldehyde - a comparison with
benzaldehyde" J. Chem. Phys. 136 (2012) 144509.
I. Reva, M.J. Nowak, L. Lapinski, R. Fausto "UV-induced
amino›imino hydrogen-atom transfer in 1-methylcytosine "
J. Phys. Chem. B 116 (2012) 5703.
H. Rostkowska, L. Lapinski, B. Kozankiewicz, M.J. Nowak
"Photochemical isomerizations of thiosemicarbazide" J.
Phys. Chem. A. 116 (2012) 9863.
I. Garkusha, J. Fulara, J. P. Maier, “Fluorescence of
protonated pyrene and coronene in neon matrices”, J.
Molec. Struct. 1025 (2012) 147.
Adam Nagy, Jan Fulara, Iryna Garkusha, and John P.
Maier, "On the Benzylium/Tropylium Ion Dichotomy:
Electronic Absorption Spectra in Neon Matrices", Angew.
Chem. Int. Ed. (2011), 50, 3022 –3025.
Iryna Garkusha, Jan Fulara, Adam Nagy, John P. Maier,
"ELECTRONIC ABSORPTION SPECTRA OF PROTONATED ANTHRACENES
AND PHENANTHRENES, AND THEIR NEUTRALS IN NEON MATRICES"
, ASTROPHYSICAL JOURNAL, 728, (2011), 131.
J. P. Maier, G. A. H. Walker, D. A. Bohlender, F. J.
Mazzotti, R. Raghunandan, J. Fulara, I. Garkusha, A.
Nagy, "IDENTIFICATION OF H2CCC
AS A DIFFUSE INTERSTELLAR BAND CARRIER" The
Astrophysical Journal, 726, (2011), 41.
Iryna Garkusha, Jan Fulara†, Adam Nagy, and John P.
Maier, "Electronic Transitions of Protonated Benzene and
Fulvene, and of C6H7 Isomers in Neon Matrices", J. Am.
Chem. Soc., 132, (2010), 14979–14985.
Leszek Lapinski, Igor Reva, Maciej J. Nowak, Rui Fausto,
"Five isomers of monomeric cytosine and their
interconversions induced by tunable UV laser light".
Phys. Chem. Chem. Phys. 13 (2011) 9676-9684.
Leszek Lapinski, Maciej J. Nowak, Igor Reva, Hanna
Rostkowska and Rui Fausto, "NIR-laser-induced
selective rotamerization of hydroxy conformers
of cytosine", Phys. Chem. Chem. Phys., 12 (2010)
9615-9618.
Nihal Kus, Archna Sharma, Igor Reva, Leszek Lapinski
and Rui Fausto, "Thermal and Photoinduced Control of
Relative Populations of 4-Methoxybenzaldehyde
(p-Anisaldehyde) Conformers", J. Phys. Chem. A, 114
(2010) 7716–7724.
Photochemical and thermal isomerizations of C2h and
C2v forms of para-benzoquinone dioxime: A
matrix-isolation study, Leszek Lapinski, Tetyana
Stepanenko, Michal F. Rode and Maciej J. Nowak, J.Mol.
Struct., 976 (2010) 181-189.
Infrared spectra of methyl isocyanate isolated in Ar,
Xe and N2 matrices, Igor Reva, Leszek Lapinski and Rui
Fausto, J.Mol. Struct., 976 (2010) 333-341.
Jan Fulara, Adam Nagy, Iryna Garkusha, John P. Maier,
"Higher energy electronic transitions of HC2n+1H+
(n=2–7) and HC2n+1H (n=4–7) in neon matrices" J. Chem.
Phys., 133 (2010) 024304.
Leszek Lapinski, Hanna Rostkowska, Igor Reva, Rui
Fausto and Maciej J. Nowak; "Positive Identification
of UV-Generated, Non-Hydrogen-Bonded Isomers of
o-Hydroxybenzaldehyde and o-Hydroxyacetophenone"; J.
Phys. Chem. A, 114 (2010) 5588–5595.
Hanna Rostkowska, Leszek Lapinski and Maciej J. Nowak;
"UV-induced transformations of matrix-isolated
1,3,4-thiadiazole-2-thiones";
J. Phys. Org. Chem., 23 (2010) 56–66.
Leszek Lapinski, Maciej J. Nowak, Jacek Nowacki,
Michal F. Rode, Andrzej L. Sobolewski, "A Bistable
Molecular Switch Driven by Photoinduced Hydrogen-Atom
Transfer", ChemPhysChem, 10 (2009) 2290 – 2295.
H. Rostkowska, L.Lapinski and M.J. Nowak, "Analysis of
the normal modes of molecules with D3h
symmetry.Infrared spectra ofmonomeric
s-triazine and cyanuric acid", Vibrational Spectroscopy,
49(2009) 43.
B. Chmura, M. Rode, A. Sobolewski, L. Lapinski, M.J.
Nowak, "A computational study on the mechanism of
intramolecular oxo-hydroxy phototautomerism driven by ps*
repulsive state", J. Phys. Chem. A; 112 (2008) 13655.
Igor Reva, Leszek Lapinski, Maciej J. Nowak,
“Photoinduced Oxidation of Triphenylphosphine Isolated
in a Low-Temperature Oxygen Matrix”, Chemical Physics
Letters, 467 (2008) 97.
A. Borba, M. Albrecht, A. Gómez-Zavaglia, L. Lapinski,
M. J. Nowak, M. A. Suhm and R. Fausto, "Dimer formation
in nicotinamide and picolinamide
in the gas and condensed phases probed by infrared
spectroscopy" Phys. Chem. Chem. Phys., 10 (2008) 7010.
S. Jarmelo, I. Reva, L. Lapinski, M.J. Nowak, R. Fausto,
"Matrix-isolated diglycolic anhydride: vibrational
spectra and photochemical reactivity"
J. Phys. Chem. A, 112 (2008) 11178.
I. Reva, M.J. Nowak, L.Lapinski, R. Fausto "Photoinduced
transformation of matrix-isolatedmethyl
2-pyrone-3-carboxylate into methyl
2-pyrone-5-carboxylate viaintramolecular hydrogen shift
in open-ring aldehyde-ketene" Chem. Phys. Lett. Vol
452/1-3 (2008) 20.
L. Lapinski, A. Gerega, A.L. Sobolewski, M.J. Nowak
“Thioperoxyderivative generated by UV-induced
transformation of N-hydroxypyridine-2(1H) thione
isolated in low-temperature matrixes” J.Phys. Chem. A
112 (2008) 238.
A. Gerega, L. Lapinski, M.J. Nowak, A. Furmanchuk, J.
Leszczynski“Systematic effect of benzo-annelation on
oxo-hydroxy tautomerism ofheterocyclic compounds.
experimental matrix-isolation and theoreticalstudy” J.
Phys. Chem. A, 111 (2007) 4934.
J. Fulara, P. Freivogel, J. P. Maier,
"ElectronicTransitions of CsC2, CsC2-, and CsC4 in Neon
Matrixes" J. Phys. Chem.A, 111 (2007)
7551.
J. Fulara, M. Grutter, J. P. Maier, "Higher
Excited ElectronicTransitions of Polyacetylene Cations
HC2nH+ n = 2-7 in Neon Matrixes"
J. Phys. Chem. A, 111 (2007)
11831.
A. Khvorostov, L.Lapinski, H.Rostkowska, M.J. Nowak,
"Unimolecular proton-transfer photoreactions
in2,4-dithiouracil and 6-aza-2,4-dithiouracil:
A matrix isolation study" J. Photochem. Photobiol. A:
Chemistry 184 (2006) 322.
I.D. Reva, M.J. Nowak, L.
Lapinski, R. Fausto, "UV-inducedphotochemistry of
methyl coumalate (methyl 2-pyrone-5-carboxylate)
isolated
in low-temperature inert matrices" Chem. Phys. Lett.
429(2006) 382.
A. Gerega,
L. Lapinski, M.J. Nowak,
H. Rostkowska "UV-induced
Oxo → Hydroxy Unimolecular
Proton-Transfer Reactions in Hypoxanthine" J. Phys. Chem.A 110
(2006) 10236.
S. Breda,
I.D. Reva,L. Lapinski, M.J. Nowak, R. Fausto „Infrared
Spectra of Pyrazine, Pyrimidine and Pyridazinein solid argon”
J. Molec. Struct.786 (2006) 193.
L. Lapinski, M.J. Nowak, A.L. Sobolewski,B. Kierdaszuk "Photoisomerizationsof N4‑hydroxycytosines"
J. Phys. Chem. A 110(2006)
5038.
S. Breda, I. Reva, L. Lapinski,
M.L.S. Cristiano,L. Frija, R. Fausto"Photochemical
Ring-Opening and IntramolecularHydrogen
Shift Reactions in Sulfur Analogues of a‑Pyrone",
J. Phys. Chem. A 110 (2006)6415.
A. Gerega, L. Lapinski,I. Reva, H. Rostkowska,M.J.
Nowak„UV-induced
Generation of Rare Tautomers of Allopurinoland
9-Methylhypoxanthine
—
A Matrix Isolation FTIR Study”Biophys. Chem. 122 (2006)
123.
S. Jarmelo, L.Lapinski,M.J. Nowak,P.R.
Carey, R. Fausto,
"PreferredConformers andPhotochemical (l>200 nm)Reactivity of
Serine and 3,3-deutero-Serine In the Neutral Form”
J.Phys. Chem.A., 109 (2005) 5689.
A. Khvorostov, L. Lapinski,H. Rostkowska, M. J. Nowak, "UnimolecularPhotochemistry
of 4-Thiouracils” Photochem.Photobiol., 81 (2005) 1205.
H. Rostkowska, L. Lapinski,A. Khvorostov, M. J. Nowak,
"UV-Induced Trithione→TritiolTriple
Proton Transfer in TrithiocyanuricAcidIsolated
in Low-Temperature Matrixes” J. Phys. Chem. A, 109,
(2005)2160.
Y. Podolyan,
M.J. Nowak, L. Lapinski,J.
Leszczynski, „Probing abinitio
MP2 approach towards the predictionofvibrational
infrared spectra of DNA base pairs” J. Mol. Struct.744 (2005) 19.
A. Khvorostov,
L. Lapinski,H. Rostkowska, M. J. Nowak,
"UV-InducedGeneration of Rarae
Tautomers of2-Thiouracils: A Matrix Isolation Study”
J. Phys. Chem. A, 109 (2005) 7700.
S.Lopes,A. Gomez-Zavaglia,
L. Lapinski,R. Fausto„Conformational
Flexibility, UV-Induced Decarbonylation,and
FTIR
Spectra of
1-Phenyl-1,2 Propanedione
in Solid Xenon and in the Low Temperature Amorphous
Phase” J. Phys.Chem. A 109
(2005) 5560.
S. Breda, I.
Reva, L. Lapinski, R. Fausto"Photochemical a-Cleavage in Pyran-2-thione:Generation of
Aldehyde-Thioketene and Thioaldehyde-Ketene
Photoproducts", Chem. Phys. Chem. 6 (2005)
602.
B. Morzyk-Ociepa, M.J. Nowak, D.
Michalska,“Vibrational
spectra of 1-methylthymine: matrix isolation, solid
stateandtheoretical studies”,Spectrochim.
ActaA, 60 (2004) 2113.
L Lapinski,H. Rostkowska, A. Khvorostov,M. Yaman, R. Fausto,M.J. Nowak,
“Double-proton-transfer processes in dithiooxamide:UV-induced
dithione -> dithiolreaction
and
ground-state dithiol -> dithione
tunneling”, J. Phys. Chem. A, 108(2004)5551.
L. Lapinski,
R. Ramaekers,B. Kierdaszuk, G. Maes,M.J. Nowak,”Photochemical
syn-anti isomerizationreactions in N4-methoxycytosines.
A
matrix isolation study” J. Photochem.
Photobiol.A Chemistry 163 (2004) 489.
A. Borba,
A. Gomez-Zavaglia,L. Lapinski, R. Fausto "Rotational Isomers of
Lactic Acid: First Experimental Observation of Higher
Energy Forms" Phys. Chem. Chem. Phys. 6(2004)
2101.
I. Reva, S. Jarmelo,L. Lapinski, R. Fausto "First Experimental
Evidence of the Third Conformer of Glycolic Acid:
Combined MatrixIsolation, FTIR
and Theoretical Study" Chem. Phys. Lett. 389(2004)
68.
S. Breda, I. Reva, L. Lapinski,
R. Fausto
"MatrixIsolation FTIR and Theoretical Study of a‑PyronePhotochemistry" Phys.
Chem. Chem. Phys. 6 (2004)929.
S. Breda, L. Lapinski,I. Reva, R. Fausto"4,6-Dimethyl-a-pyrone: A MatrixIsolation Study of
the Photochemical Generation of Conjugated Ketene,
Dewar Valence Isomer and 1,3‑Dimethylcyclobutadiene"
J. Photochem.Photobiol. A 162(2004)
139.
I. Reva, S. Jarmelo,L. Lapinski, R. Fausto"IR-Induced Photoisomerization of
Glycolic Acid Isolated in Low-Temperature Inert
Matrices"
J. Phys. Chem. A 108
(2004) 6982.
A. Borba, A. Gomez-Zavaglia,L. Lapinski, R. Fausto"Matrix
Isolation FTIR Spectroscopic and Theoretical Study
of Methyl Lactate"
Vibrat.Spectrosc.
36 (2004) 79.
S.Lopes,A.
Gomez-Zavaglia, L. Lapinski,N. Chattopadhyay, R. Fausto"Matrix-Isolation
FTIRSpectroscopy of Benzil:
Probing theFlexibility ofthe C-C Torsional Coordinate”J. Phys.Chem.
A 108 (2004) 8256.
H. Rostkowska, L. Lapinski,A. Khvorostov, M.J. Nowak,"Proton transfer processes in selenourea:UVinduced selenone → selenolphotoreaction and
ground state selenol → selenone proton tunneling ",
Chem. Phys., 298
(2004) 223.
S. Breda,
L. Lapinski,R. Fausto, M.J. Nowak , "Photoisomerizationreactions of
4‑methoxy- and 4-hydroxy-6-methyl-a-pyrone:an
experimental
matrix isolation and theoretical densityfunctional
theory study", Phys. Chem.Chem. Phys.,
5(2003)
4527.
L. Lapinski, H. Rostkowska,A. Khvorostov, R. Fausto,M.J. Nowak,
"Photochemical ring openingreaction in 2(1H)-pyrimidinones: a
matrixisolationstudy ", J. Phys. Chem. A, 107(2003), 5913.
H. Rostkowska,
L. Lapinski,A. Khvorostov, M.J. Nowak,"Proton transfer processes in thiourea: UVinducedthione→thiol reaction and
ground state thiol→thione
tunneling ", J. Phys. Chem. A, 107 (2003) 6373.
L. Lapinski,M.J.
Nowak, J.S. Kwiatkowski,J. Leszczynski, "Photochemicalsyn-anti isomerisationreactions in N2-hydroxyisocytosine. An experimental
matrixisolation and theoretical study", Photochem.Photobiol., 77 (2003) 243.
L. Lapinski, H. Rostkowska,A. Khvorostov, M.J. Nowak,
"UVinduced protontransfer in thioacetamide: first
observation of thiol
form of simple thioamide", Phys.Chem.Chem. Phys., 5
(2003) 1524.
H. Rostkowska, L. Lapinski,M.J.Nowak, "Photochemical
double-proton-transfer reactions in
2,6-dithiopurine. A matrix isolationstudy",
J. Phys. Chem. A 107 (2003) 804.
I. Reva, L. Lapinski,N. Chattopadhyay, R. Fausto "Vibrational Spectrum
and Molecular Structure of Triphenylamine
Monomer. A Combined Matrix Isolation FTIR and
Theoretical Study" Phys.Chem. Chem. Phys. 5 (2003) 3844.
S.Lopes,L. Lapinski, R. Fausto "Molecular Structure
and Infrared Spectra of Dimethyl Fumarate" Phys. Chem. Chem.
Phys. 4 (2002) 3965.
A. Andrzejewska,
L. Lapinski, I. Reva, R. Fausto
"Matrix Isolation FT-IR and Molecular Orbital
Study of E and Z Acetaldoxime
Monomers" Phys. Chem. Chem. Phys. 4 (2002)
3289.
S.Lopes,L. Lapinski, R. Fausto"Molecular Structure and
Infrared Spectra of Dimethyl Malonate: A Combined Quantum
Chemical and Matrix-Isolation Spectroscopic Study"
Phys. Chem. Chem. Phys.4
(2002) 5952.
S.C.S.Bugalho, L. Lapinski, M.L.S. Cristiano, L.M.T. Frija, R. Fausto "Vibrational Spectra
and Structure of 1-Phenyltetrazole and
5-Chloro-1-phenyltetrazole - A Combined Study by Low
Temperature Matrix Isolation and Solid State FTIR
Spectroscopy and DFT calculations"
Vibrat. Spectrosc.30 (2002) 213.
N. Chattopadhyay, I. Reva,L. Lapinski,
R. Fausto,L.G. Arnaut, S.J. Formosinho "Photoisomerizationof
p-Dimethylamino-b-chlorostyrene : ALow
Temperature Matrix Isolation FTIR Study" J. Phys.
Chem. A 106 (2002) 3722.
H. Rostkowska, L. Lapinski,M.J.Nowak,
L. Adamowicz,"Normal
mode analysis of the vibrational spectrum of tropolone- a molecule with
seven-member ring", Int.J.QuantumChem.90
(2002)
1163.
L. Lapinski, M.J. Nowak, D. Bieńko, D. Michalska, "Vibrational
spectra of 5,6-dimethyluracil. An experimental matrix
isolation, solid state and theoretical studies", Phys.Chem.Chem.Phys., 4(2002)
1123.
S.C.S.Bugalho, L. Lapinski, M.L.S. Cristiano, L.M.T. Frija, R. Fausto "Vibrational Spectra
and Structure of 1-Phenyltetrazole and
5-Chloro-1-phenyltetrazole - A Combined Study by
Low-Temperature Matrix Isolation and Solid State FTIR
Spectroscopy and DFT calculations"
Vibrat. Spectrosc.30 (2002) 213.
S. Branco Lopes, L. Lapinski,R. Fausto "Molecular Structure
andInfrared Spectra of Dimethyl
Oxalate"Phys. Chem. Chem. Phys. 4
(2002) 1014.
M.J.Nowak,L. Lapinski, L. Adamowicz „Photochemical syn-anti IsomerizationReaction
in
N4-Hydroxycytosine. An Exprimental Matrix Isolation
and Theoretical Study”, Photochemistry and
Photobiology, 74(2001) 253.
H. Rostkowska, M.J. Nowak, L. Lapinski,L. Adamowicz, „IR spectral and
theoretical characterization of intramolecular
hydrogen bonds closing five-membered rings”, Phys.
Chem.Chem. Phys.3 (2001) 3012.
T. Stepanenko, L. Lapinski,M.J.Nowak, L. Adamowicz, ”Infrared spectra
of syn and anti isomers
of benzaldoxime and
pyridine-4-aldoxime: an experimental matrix isolation
and theoretical density functional theory study”, Vibrat. Spectr.
26 (2001) 65.
M.M. Glice, K. Bajdor, A. Leś, T. Stepanenko,
M.J. Nowak, H.Y. Abdoul-Enein,
Z. Chilmonczyk;
“Vibrational spectroscopy of cyclohexyl
aminoglutethimide in low-temperature
matrices, solutions and the solid state”, J. Molec. Struct.
560(2001) 137.
T. Stepanenko,L.
Lapinski, M. J. Nowak, J.
S.Kwiatkowski, J. Leszczynski;
“Tautomerism and infrared
spectra of 2-thiopurine. An experimental matrix
isolation andtheoretical abinitio anddensity
functional theory study” Spectrochim. ActaA, 57 (2001) 375.
T. Stepanenko,L.
Lapinski, A.L. Sobolewski,M.J.Nowak, B. Kierdaszuk, “Photochemical syn - anti isomerizationreactionin
1-methyl-N4-hydroxycytosine. An
experimental matrixisolation andtheoretical density
functional theory study” J. Phys. ChemA, 104 (2000) 9459.
L Lapinski,M.J. Nowak, J.S.
Kwiatkowski, J. Leszczynski,“Phototautomeric Reaction, Tautomerism and Infrared
Spectra of 6-Thiopurine. An Experimental Matrix
Isolation and Quantum-Mechanical (Conventional Ab InitioandDensity
Functional Theory) Study”, J.Phys. Chem.A, 103 (1999) 280.
V. Alexandrov, D.M.A. Smith, H. Rostkowska,M.J. Nowak, L. Adamowicz, W.McCarthy, “Theoretical study
of the O-H stretching band
in3-hydroxy-2-methyl-4-pyrone”,J. Chem. Phys., 108
(1998) 9685.
W.J.McCarthy,
L. Lapinski, M.J. Nowak,
L. Adamowicz,
“Out-of-plane Vibrations of NH2 in
2-Aminopyrimidine and Formamide”, J.Chem. Phys. 108(1998) 10116.
J. Fulara, L. Lapinski,O. Morawski, J. Prochorow„CavityRing Down
Measurement of the (1,0) B 2Su+‑
X 2Sg+ Absorption
Band of the N2+Cation” ActaPhys. Polon. 93A(1998)
723.
H. Rostkowska, M.J. Nowak, L. Lapinskiand L. Adamowicz, “Molecular
Structure and Infrared Spectra of
2-Hydroxy-1,4-naphtoquinone; Experimental Matrix
Isolation and Theoretical Hartree-Fock
and Post Hartree-FockStudy”,
Spectrochim. Acta54A (1998) 1091.
L. Lapinski, M.J.
Nowak, R. Kolos, J.S. Kwiatkowski, J.
Leszczynski,“Spectroscopic Identification
of 2,4-Pyrimidinedithiol; an Experimental Matrix
Isolation and Ab Initio Hartree-Fock
and Density Functional Theory Study”, Spectrochim.Acta 54A (1998) 685.
M.K.Van Bael, J. Smets,K.
Schoone, L. Houben,W. McCarthy, L. Adamowicz, M.J. Nowak, G. Maes, Matrix-Isolation FT-IR
Studies and Theoretical
Calculationsof Hydrogen-Bonded Complexes of Imidazole. A Comparison
Between Experimental Results and Different Calculation
Methods,
J.Phys. Chem. A
101 (1997) 2397.
D.C. Bienko,D. Michalska,
S. Roszak,W. Wojciechowski, M.J. Nowak
and L. Lapinski,“Infrared
Matrix Isolation and Theoretical Studies on Glutarimide- Application of Ab InitioHartree-Fock, MP2 and Density
FunctionalMethods”, J. Phys.Chem. A 101 (1997) 7834.
M.J.Nowak,L.Lapinski,
J.S. Kwiatkowski, J. Leszczynski,“Molecular
Structure and Infrared Spectra of the DNA Bases and
Their Derivatives: Theory and Experiment”, in
"Computational Chemistry: Reviews of Current Trends"
ed. J. Leszczynski (WorldScientific
Publishing Co. Pte. Ltd, Singapore,1997,
Vol.2) pp. 140 - 216.
H. Rostkowska,
M.J. Nowak, L. Lapinski,D.
Smith, L. Adamowicz,
“Molecular Structure and Infrared Spectra of
3,4-Dihydroxy-3-Cyclobutene- 1,2-Dione;Experimental
Matrix Isolation and Theoretical Hartree-Fock
and Post Hartree-Fock
Study”, Spectrochim.Acta, 53 A (1997) 959.
M.J.Nowak,L. Lapinski, D.C. Bienko,D. Michalska, “Infrared Matrix
Isolation Spectra of 1-Methyluracil. Revised
Assignment Based on the Hartree-Fockand
Post-Hartree-Fock
Studies”, Spectrochim.Acta 53 A (1997) 855.
L.Lapinski, H. Rostkowska, M.J. Nowak, J.S. Kwiatkowski, J. Leszczynski, “Infrared Spectra
of Thiouracils:
Experimental Matrix Isolation and ab initio Hartree-Fock,
Post Hartree-Fockand Density Functional
Theory Studies”,Vibrat.
Spectr.,13 (1996) 23.
M.J.Nowak,L. Lapinski, J.S. Kwiatkowski, J.
Leszczynski,“Molecular
Structure and Infrared Spectra of Adenine.
ExperimentalMatrixIsolation and Density Functional
Theory Study of Adenine 15NIsotopomers”, J. Phys. Chem.
100 (1996)3527.
L. Lapinski,
D. Prusinowska,M.J.Nowak,
M. Bretner, K. Felczak,G. Maes, L. Adamowicz,
“Infrared Spectra of 6-Azathiouracils: an Experimental
Matrix Isolation and Theoretical Ab
InitioSCF/6-311G** Study”,
Spectrochim. Acta52A (1996) 645.
D. Prusinowska,
L. Lapinski,M.J.Nowak, L.
Adamowicz, “Tautomerism, Phototautomerism and Infrared
Spectra of Matrix-Isolated 2-Quinolinethione”, Spectrochim.Acta 51A (1995) 1809.
W.J. McCarthy,
L. Lapinski, M.J. Nowak,
L. Adamowicz, “Anharmonic Contributions to
the Inversion Vibration in 2-Aminopyrimidine”, J. Chem. Phys. 103 (1995)
656.
L. Lapinski, M.J. Nowak, A. Les,
L. Adamowicz,“Comparison
of Ab Initio HF/6-31G**,
HF/6-31++G**, MP2/6-31G** IR Spectra of 4(3H)-Pyrimidine and
4-Hydroxypyrimidine with Matrix Isolation Spectra”, Vibrat.Spectr.,
8 (1995) 331.
A.Les, L. Adamowicz, M.J. Nowak, L. Lapinski,“Concerted Biprotonic Tautomerismof
2-Hydroxypyridine” J. Molec. Struct.
(Theochem), 312 (1994)
157.
M.J.Nowak, H.
Rostkowska, L. Lapinski, J.S. Kwiatkowski, J.
Leszczynski, “Tautomerism N(9)H / N(7)H of Purine, Adenine and
2-Chloroadenine: Combined Experimental IR Matrix
Isolation and Ab Initio
Quantum Mechanical Studies”,
J. Phys.Chem., 98 (1994) 2813.
M.J.Nowak, H. Rostkowska,
L. Lapinski, J.S.
Kwiatkowski, J. Leszczynski,“Experimental
Matrix Isolation and Theoretical Ab Initio
HF/6-31G(d,p) Studies of
Infrared Spectra of Purine,
Adenine and 2-Chloroadenine”, Spectrochim. Acta 50A (1994) 1081.
H. Vranken, J. Smets, G. Maes, L. Lapinski, M.J. Nowak, L. Adamowicz, “Infrared Spectra
and Tautomerism of Isocytosine; An Ab
Initio and Matrix Isolation Study”, Spectrochim.
Acta 50A (1994) 875.
M.J.Nowak,A.
Les, L. Adamowicz,
”Application of Ab Initio Quantum Mechanical
Calculations to Assign Matrix-Isolation IR Spectra
of Oxopyrimidines”,Trends
in Physical Chemistry, 4 (1994) 137.
L. Lapinski,
M.J. Nowak, A. Les, L. Adamowicz,“Ab InitioCalculations
ofIR Spectra in Identification of Products of Matrix
IsolationPhotochemistry:Dewar Form of 4(3H)‑Pyrimidinone”, J. Amer.Chem.
Soc, 116 (1994) 1461.
H. Rostkowska, M.J. Nowak, L. Lapinski, M. Bretner, T. Kulikowski, A. Les, L. Adamowicz, “Infrared Spectra
of 2-Thiocytosine and 5-Fluoro-2-thiocytosine;
Experimental and Ab Initio Studies”, Spectrochim. Acta,49A (1993)551.
H. Rostkowska, M.J. Nowak, L. Lapinski, M. Bretner, T. Kulikowski, A. Les, L. Adamowicz, “Theoretical and
Matrix-Isolation Experimental Studies on
2-Thiocytosine and 5‑fluoro-2-thiocytosine”, Biochim. and Biophys.Acta,
1172 (1993) 239.
A.Les, L. Adamowicz, M.J. Nowak, L. Lapinski,The Infrared Spectra
of Matrix Isolated Uracil
and Thymine; an Assignment Based on New Theoretical
Calculations, Spectrochimica
Acta,48A (1992)1385 -
1395.
I.R.Gould,M.A.
Vincent, I.H. Hillier, L. Lapinski,
M.J. Nowak, A New Theoretical Prediction of the
Infrared Spectra of Cytosine Tautomers, Spectrochimica Acta, 48A (1992)811 - 818.
A.Les, L. Adamowicz, M.J. Nowak, Leszek Lapinski,
Theoretical Interpretation of the Gas Phase
Equilibrium of 2-Hydroxypyridine/2(1H)-Pyridinone. J.Mol. Structure
(THEOCHEM), 277 (1992) 313.
L. Lapinski, M.J. Nowak, J. Fulara, A. Les, L. Adamowicz, The relation
between structure and tautomerism
in diazinones and diazinethiones. An
experimental matrix isolation and theoretical ab initio
study. J. Phys. Chem., 96 (1992) 6250 - 6254.
M.J.Nowak,L. Lapinski, J. Fulara,A.Les, L. Adamowicz, Matrix isolation IR
spectroscopy of tautomeric
systems and its theoretical interpretation.
2-Hydroxypyridine / 2(1H)-Pyridinone. J. Phys. Chem., 96 (1992)
1562 - 1569.
J. Fulara, M.J. Nowak, L. Lapinski,A. Les, L. Adamowicz, Theoretical
andmatrix-isolation experimental study of the infrared
spectra of5-azauracil and6-azauracil. Spectrochimica ActaA, 47A (1991) 595 - 613.
M.J.Nowak,L. Lapinski, J. Fulara,A.Les, L. Adamowicz, Theoretical and
infrared matrix isolation study on 4(3H)-pyrimidinethioneand 3(2H)-pyridazinethione - tautomerismand phototautomerism. J. Phys.
Chem., 95(1991) 2404- 2411.
M.J.Nowak,H. Rostkowska, L.Lapinski,J. Leszczynski, J.S. Kwiatkowski,
Infraredexperimentaland ab
initio quantum mechanical
studies of 2-mercaptopyrimidine tautomers, Spectrochimica Acta A, 47A (1991) 339 - 353.
M.J.Nowak,L. Lapinski,
J.S. Kwiatkowski, J. Leszczynski,
Infrared matrix isolation and ab
initio quantum-mechanical
studies of purine and
adenine; Spectrochimica
Acta A, 47A (1991)87 -
103.
M.J.
Nowak,L. Lapinski, H. Rostkowska, A. Les, A. Adamowicz, Theoretical and
matrix-isolation experimental study
on2(1H)-pyridinethione/2-pyridinethiol; J. Phys
Chem., 94 (1990) 7406 - 7414.
H. Rostkowska, K. Szczepaniak, M.J. Nowak, J.
Leszczynski, K.KuBulat,W.B. Person, Tautomerism and infrared
spectra of thiouracils.
Matrix isolation and ab initio studies; J. Am. ChemSoc., 112 (1990) 2147 -
2160.
L. Lapinski, M.J. Nowak, J. Fulara,A.Les, L. Adamowicz, Matrix isolation
and ab initiotheoretical studies
ofthe IR spectrum of 5-methylcytosine; J. Physical
Chemistry, 94 (1990) 6555 -6564.
L. Lapinski,
J. Fulara,R. Czerminski and M.J. Nowak,
IR matrix isolation and ab
initio studies of
3(2H)-pyridazinone and
photoproduced
3-hydroxypyridazine; Spectrochimica
Acta, 46A (1990) 1087
- 1096.
L. Lapinski,
R. Czerminski,
M.J.Nowak, J. Fulara,
Ab initio, CNDO/2 and matrix
isolation studies of 2-hydroxypyrimidine infrared
absorption spectra. J.Mol.
Structure, 220 (1990) 147 - 167.
L. Lapinski, J. Fulara,and M.J.Nowak, IR
matrix isolation and ab
initiostudies of
4-oxopyrimidine; separation of the spectra of
tautomersbased on phototautomeric
effectt.
Spectrochimica Acta, 46A (1990) 61.
M.J.Nowak,
L. Lapinski, J.S.
Kwiatkowski, An infrared matrix isolation study of tautomerism in purineand adenine. Chem. Phys. Lett.157(1989)
14.
A. Mordzinski, M.J. Nowak, J. Lipkowski The structure and
spectroscopy of H-bonded benzoxazolederivatives;
J
Mol. Struct., 219
(1989)209 -214.
M.J.Nowak, L.
Lapinski, J. Fulara, Matrix isolation
studies of cytosine; the separation of the infrared
spectra of cytosine tautomers. SpectrochimicaActa, 45A (1989) 229-242.
M.J.Nowak,“IR
Matrix Isolation Studies of Nucleic Acid Constituents:
The Spectrum of Monomeric
Thymine” J. Mol. Str.193
(1989) 35 -49.
M. J.Nowak, J.
Fulara, L. LapinskiIR Spectra and Phototautomerism of
MatrixIsolated4-Oxopyrimidine. J.
Mol. Str. 175 (1988)
91-96.
R. Czerminski, K. Kuczera,H. Rostkowska, M.J. Nowak, K. Szczepaniak,Autoassociates and Tautomerismof
2-Oxo-5-halogeno-pyrimidines: Theoretical and
ExperimentalInvestigations. J.
Molec.Struct.
140 (1986) 235 -251.
M. Szczesniak,
M.J. Nowak, K. Szczepaniak,W.B.
Person, Effect of Intermolecular Interactions on the
Infrared Spectrum of 1-Methyluracil.
Spectrochim.Acta 41A (1985) 237.
M. Szczesniak, M.J. Nowak, K. Szczepaniak, S. Chin, I.
Scott, W.B. Person Matrix Isolation Studies of
Nucleic AcidConstituents III. 1-Methyluracil,3-Methyluracil,
1,3-Dimethyluracil
Monomers, Spectrochim.Acta 41A (1985) 223 -235.
K. Szczepaniak, M. Szczesniak,M.J.Nowak, I.
Scott, S. Chin, W.B. Person, Vibrational Spectra of
Uracil: Experimental
Infrared Matrix Studies andAb
InitioQuantum-MechanicalCalculations'
Int.
J. Quant. Chem., 18 (1984) 547.
K. Szczepaniak, M. Szczesniak,M.J.Nowak, I.
Scott, S. Chin, W.B. Person, Vibrational Spectra of
Uracil: Experimental
Infrared Matrix Studies and Ab
Initio Quantum-Mechanical
Calculations' Int. J. Quant. Chem., 18 (1984) 547.
M. Szczesniak, M.J. Nowak, H. Rostkowska,K. Szczepaniak, W.B. Person, D.
Shugar, Matrix Isolation
Studies of Nucleic Acid Constituents 1. Infrared Spectra of Uracil Monomers. J. Am. Chem. Soc. 105
(1983)5969.
M.J.Nowak,
K. Szczepaniak, A. Barski, D. Shugar, Tautomeric Equilibria of 2(4)-Monooxopyrimidines in the
Gas Phase, in Low-temperature Matrices and in
Solution. J. Molec. Struct.
62 (1980) 47.
M.J. Nowak,
K. Szczepaniak, A. Barski, D. Shugar, Spectroscopic
Studies on Vapour Phase
Tautomerism of Natural
Bases Found in Nucleic Acids. Z. Naturforsch., 33c (1978) 876.
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