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Kwiatkowski, Józef S., Leszczyński, Jerzy, Teca, Irena (1997) Molecular structure and infrared spectra of furan, thiophene, selenophene and their 2,5-N and 3,4-N derivatives: density functional theory and conventional post-Hartree-Fock MP2 studies. Journal of Molecular Structure, 436. 451-480 doi:10.1016/s0022-2860(97)00125-7

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Reference TypeJournal (article/letter/editorial)
TitleMolecular structure and infrared spectra of furan, thiophene, selenophene and their 2,5-N and 3,4-N derivatives: density functional theory and conventional post-Hartree-Fock MP2 studies
JournalJournal of Molecular Structure
AuthorsKwiatkowski, Józef S.Author
Leszczyński, JerzyAuthor
Teca, IrenaAuthor
Year1997 (December)Volume436
PublisherElsevier BV
DOIdoi:10.1016/s0022-2860(97)00125-7Search in ResearchGate
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Mindat Ref. ID16536738Long-form Identifiermindat:1:5:16536738:7
GUID0
Full ReferenceKwiatkowski, Józef S., Leszczyński, Jerzy, Teca, Irena (1997) Molecular structure and infrared spectra of furan, thiophene, selenophene and their 2,5-N and 3,4-N derivatives: density functional theory and conventional post-Hartree-Fock MP2 studies. Journal of Molecular Structure, 436. 451-480 doi:10.1016/s0022-2860(97)00125-7
Plain TextKwiatkowski, Józef S., Leszczyński, Jerzy, Teca, Irena (1997) Molecular structure and infrared spectra of furan, thiophene, selenophene and their 2,5-N and 3,4-N derivatives: density functional theory and conventional post-Hartree-Fock MP2 studies. Journal of Molecular Structure, 436. 451-480 doi:10.1016/s0022-2860(97)00125-7
In(1997) Journal of Molecular Structure Vol. 436. Elsevier BV

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Kwiatkowski, Józef S., Leszczyński, Jerzy (1992) Ab initio Hartree—Fock and post-Hartree—Fock studies on molecular structures and vibrational spectra of formamide and formamidic acid. Journal of Molecular Structure, 270. 67-86 doi:10.1016/0022-2860(92)85020-h
Kwiatkowski, Józef S., Leszczyński, Jerzy (1995) Molecular structure and vibrational IR spectrum of ketene. Comparison of conventional ab initio post-Hartree—Fock and density functional theory calculations. Journal of Molecular Structure: THEOCHEM, 342. 43-49 doi:10.1016/0166-1280(95)90081-0
Kwiatkowski, Józef S., Leszczyński, Jerzy (1994) Molecular structure and vibrational infrared spectra of formaldehyde, selenoformaldehyde and their dihalogenoderivatives byab initiopost-Hartree-Fock calculation. Molecular Physics, 81. 119-131 doi:10.1080/00268979400100081
Kwiatkowski, Józef S., Leszczyński, Jerzy (1993) Molecular structure and vibrational IR spectrum of formamide revisited: ab initio post-Hartree—Fock study. Journal of Molecular Structure, 297. 277-284 doi:10.1016/0022-2860(93)80183-v
Lapinski, Leszek, Rostkowska, Hanna, Nowak, Maciej J., Kwiatkowski, Józef S., Leszczyński, Jerzy (1996) Infrared spectra of thiouracils: experimental matrix isolation and ab initio Hartree-Fock, post-Hartree-Fock and density functional theory studies. Vibrational Spectroscopy, 13 (1) 23-40 doi:10.1016/0924-2031(96)00026-4
VENKATRAMAN, RAMAIYER, KWIATKOWSKI, JÓZEF S., BAKALARSKI, GRZEGORZ, LESZCZYNSKI, JERZY (2000) Molecular structure and IR spectra of bromomethanes by DFT and post-Hartree-Fock MP2 and CCSD(T) calculations. Molecular Physics, 98. 371-386 doi:10.1080/00268970009483302
Kwiatkowski, Józef S., Leszczyński, Jerzy (1996) Molecular Structure and Vibrational IR Spectra of Cytosine and Its Thio and Seleno Analogues by Density Functional Theory and Conventional ab Initio Calculations. The Journal of Physical Chemistry, 100 (3). 941-953 doi:10.1021/jp9514640
Kwiatkowski, Józef S., Leszczynski, Jerzy (1996) Molecular structure and vibrational IR spectra of the system and its thio and seleno analogs: density functional theory versus conventional ab initio calculations. Journal of Molecular Structure, 376 (1) 325-342 doi:10.1016/0022-2860(95)09075-4
Nowak, Maciej J., Lapinski, Leszek, Kwiatkowski, Józef S., Leszczyński, Jerzy (1996) Molecular Structure and Infrared Spectra of Adenine. Experimental Matrix Isolation and Density Functional Theory Study of Adenine15N Isotopomers. The Journal of Physical Chemistry, 100 (9). 3527-3534 doi:10.1021/jp9530008
Leszczyński, Jerzy, Kwiatkowski, Józef S., Leszczyńska, Danuta (1992) Molecular structures and vibrational spectra of selenoformaldehyde and its thio- and oxo-analogs by ab initio post-Hartree—Fock study. Chemical Physics Letters, 194. 157-161 doi:10.1016/0009-2614(92)85526-g
Kwiatkowski, Jozef S., Leszczynski, Jerzy (1993) Ab initio Hartree-Fock and post-Hartree-Fock studies of molecular structures and vibrational spectra of thioformaldehyde and its fluoro, chloro, and bromo derivatives. The Journal of Physical Chemistry, 97 (9). 1845-1849 doi:10.1021/j100111a021
 
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