Search Results - "Kwiatkowski, S J"

DFT studies of the structure and vibrational spectra of 8-hydroxyquinoline N-oxide by Dziembowska, T, Szafran, M, Jagodzińska, E, Natkaniec, I, Pawlukojć, A, Kwiatkowski, J S, Baran, J

“…The geometry, frequency and intensity of the vibrational bands of 8-hydroxyquinoline N-oxide (8-HQNO) and its deuterated derivative (8-DQNO) were obtained by…”
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Contributions from electron correlation to the relative stabilities of the tautomers of nucleic acid bases by Kwiatkowski, Jozef S, Bartlett, Rodney J, Person, Willis B

“…The contribution of electron correlation to the relative stabilities of tautomeric forms of nucleic acid bases is assessed. Different levels of many-body…”
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Matrix isolation infrared studies of nucleic acid constituents. 5. Experimental matrix-isolation and theoretical ab initio SCF molecular orbital studies of the infrared spectra of cytosine monomers by Szczesniak, M, Szczepaniak, K, Kwiatkowski, J. S, KuBulat, K, Person, W. B

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Depression, elaboration, and mood congruence : differences between natural and induced mood by KWIATKOWSKI, S. J, PARKINSON, S. R

“…The results of two experiments examining the effects of depressed mood on recall of target words and recall of descriptor words are reported. Descriptors were…”
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On tautomerism of the cytosine molecule by Kwiatkowski, J S, Person, W B, Szczepaniak, K, Szczesniak, M

“…Tautomerism of the cytosine molecule is discussed in connection with recent experimental matrix-isolation infrared spectroscopic measurements and recent ab…”
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Molecular structure and IR spectra of bromomethanes by DFT and post-Hartree-Fock MP2 and CCSD(T) calculations by VENKATRAMAN, RAMAIYER, KWIATKOWSKI, JÓZEF S., BAKALARSKI, GRZEGORZ, LESZCZYNSKI, JERZY

“…The molecular parameters (geometries, rotational constants, dipole moments) and vibrational IR spectra (harmonic wavenumbers, absolute intensities) of…”
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Tautomerism and infrared spectra of 2-thiopurine: an experimental matrix isolation and theoretical ab initio and density functional theory study by Stepanenko, Tetyana, Lapinski, Leszek, Nowak, Maciej J, Kwiatkowski, Józef S, Leszczynski, Jerzy

“…Infrared spectra of 2-thiopurine (2-mercaptopurine, 2-purinethiol ) isolated in low-temperature Ar and N 2 matrixes are reported. These spectra indicate that…”
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Spectroscopic identification of 2,4-pyrimidinedithiol; an experimental matrix isolation and ab initio Hartree–Fock and density functional theory study by Lapinski, Leszek, J. Nowak, Maciej, Kołos, Robert, Kwiatkowski, Józef S., Leszczyński, Jerzy

“…2,4-Pyrimidinedithiol (the dithiol form of 2,4-dithiouracil) was generated by UV ( λ>335 nm) irradiation of the dithione form of 2,4-dithiouracil isolated in…”
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Molecular structure and vibrational Raman and infrared spectra of bromochlorofluoromethane and its silicon and germanium analogs: quantum-mechanical DFT and MP2 calculations by Kwiatkowski, Józef S., Leszczynski, Jerzy, Venkatraman, Ramaiyer

“…DFT(B3LYP) and MP2 calculations with the 6-311G(2d, 2p)-type basis set have been carried out for the prediction of molecular parameters (bond distances, bond…”
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Electronic absorption spectra of 3-hydroxypyridine and 5-hydroxypyrimidine by Kwiatkowski, J. S.

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Density functional theory study on molecular structure and vibrational IR spectra of isocytosine by Kwiatkowski, Józef S., Leszczynski, Jerzy

“…Density functional theory with the combined Becke3‐LYP exchange‐correlation energy functional [DFT(B3‐LYP) method] using the 6‐31G(d, p) basis set is applied…”
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Theoretical study of PO and PO? by Adamowicz, Ludwik, Bartlett, Rodney J., Kwiatkowski, J zef S., Person, Willis B.

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Tautomerism of thioguanine. Experimental matrix isolation and theoretical quantum-mechanical studies by Szczepaniak, K, Person, W B, Leszczyński, J, Kwiatkowski, J S

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The Behavior of γ-Keto- and Aldehydo-Acid Derivatives at the Dropping Mercury Electrode. I. Esters and Anhydrides of 2-Benzoylbenzoic Acid by Wawzonek, S, Laitinen, H. A, Kwiatkowski, S. J

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Molecular structures and vibrational IR spectra of GeX and XGeY species (X, Y = O, S, Se) by ab initio Hartree-Fock and post-Hartree-Fock study by LESZCYNSKI, J, KWIATKOWSKI, J. S

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Molecular structures of M2O (M = B, Al, Ga) suboxides. Bent or linear ? by LESZCZYNSKI, J, KWIATKOWSKI, J. S

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The Willi's glas crown: a new solution in the dark and shadowed zones of esthetic porcelain restorations by Geller, W, Kwiatkowski, S J

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Electronic spectra of the 2-oxypurine isomers by Kwiatkowski, J. S.

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Electronic spectrum of 2,6-di(diethylamino)purine by Kwiatkowski, J. S.

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The Behavior of γ-Keto- and Aldehydo-Acid Derivatives at the Dropping Mercury Electrode. II. Amides of 2-Benzoylbenzoic Acid1 by Wawzonek, S, Laitinen, H. A, Kwiatkowski, S. J

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