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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

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Reference TypeJournal (article/letter/editorial)
TitleMolecular structure and vibrational IR spectrum of ketene. Comparison of conventional ab initio post-Hartree—Fock and density functional theory calculations
JournalJournal of Molecular Structure: THEOCHEM
AuthorsKwiatkowski, Józef S.Author
Leszczyński, JerzyAuthor
Year1995 (October)Volume342
PublisherElsevier BV
DOIdoi:10.1016/0166-1280(95)90081-0Search in ResearchGate
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Mindat Ref. ID8784610Long-form Identifiermindat:1:5:8784610:6
GUID0
Full ReferenceKwiatkowski, 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
Plain TextKwiatkowski, 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
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 342. Elsevier BV

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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
Kwiatkowski, Józef S., Leszczyńiski, Jerzy (1994) Ab initio post-Hartree—Fock calculations of the 2-hydroxypyridine/2(1H)-pyridinone system: molecular structures, vibrational IR spectra and tautomeric stability. Journal of Molecular Structure: THEOCHEM, 312. 201-213 doi:10.1016/s0166-1280(09)80034-1
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
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., 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, 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
Kwiatkowski, Józef S., Leszczyński, Jerzy (1990) An ab initio quantum-mechanical study of tautomerism of purine, adenine and guanine. Journal of Molecular Structure: THEOCHEM, 208. 35-44 doi:10.1016/0166-1280(92)80005-7
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
Limtrakul, Jumras, Tantanak, Duangkamol (1995) Structures, energetics and vibrational frequencies of zeolitic catalysts: a comparison between density functional and post-Hartree-Fock approaches. Journal of Molecular Structure: THEOCHEM, 358. 179-193 doi:10.1016/0166-1280(95)04335-7
Kwiatkowski, Józef S., Leszczyński, Jerzy (1992) The quantitative prediction and interpretation of vibrational spectra of organophosphorus compounds. Journal of Molecular Structure: THEOCHEM, 257. 85-103 doi:10.1016/0166-1280(92)87182-y
Kwiatkowski, Józef S., Leszczyński, Jerzy (1992) The quantitative prediction and interpretation of the vibrational spectra of organophosphorus compounds. Journal of Molecular Structure: THEOCHEM, 258. 287-297 doi:10.1016/0166-1280(92)85071-r
 
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