화학공학소재연구정보센터
검색결과 : 22건
No. Article
1 A theoretical study on vomitoxin and its tautomers
Turker L, Gumus S
Journal of Hazardous Materials, 163(1), 285, 2009
2 Quantum chemical study on 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one (NTO) and some of its constitutional isomers
Turker L, Atalar T
Journal of Hazardous Materials, 137(3), 1333, 2006
3 Ab initio study of the prototropic tautomerism of cytosine and guanine and their contribution to spontaneous point mutations
Podolyan Y, Gorb L, Leszczynski J
International Journal of Molecular Sciences, 4(7), 410, 2003
4 Density functional theory study of the hydrogen-bonded pyridine-H2O complex: A comparison with RHF and MP2 methods and with experimental data
Dkhissi A, Adamowicz L, Maes G
Journal of Physical Chemistry A, 104(10), 2112, 2000
5 Theoretical study of proton transfer in hypoxanthine tautomers: Effects of hydration
Shukla MK, Leszczynski J
Journal of Physical Chemistry A, 104(13), 3021, 2000
6 Does the hydrated cytosine molecule retain the canonical structure? A DFT study
Shishkin OV, Gorb L, Leszczynski J
Journal of Physical Chemistry B, 104(22), 5357, 2000
7 Structure, energetics, and dynamics of the nucleic acid base pairs: Nonempirical ab initio calculations
Hobza P, Sponer J
Chemical Reviews, 99(11), 3247, 1999
8 A major, pH-induced stereochemical switch of pairs of trans-oriented ligands in complexes of trans-a(2)Pt(II) (a = NH3, CH3NH2)
Muller J, Glahe F, Freisinger E, Lippert B
Inorganic Chemistry, 38(13), 3160, 1999
9 Intramolecular migration of coordinated platinum(II) from the N7 site to the exocyclic amino group in 9-methyladenine
Viljanen J, Klika KD, Sillanpaa R, Arpalahti J
Inorganic Chemistry, 38(22), 4924, 1999
10 Matrix-isolation FT-IR studies and theoretical calculations of different types of hydrogen-bonding: 2-hydroxypyridine/2-oxopyridine complexed with HCl
Dkhissi A, Houben L, Ramaekers R, Adamowicz L, Maes G
Journal of Physical Chemistry A, 103(50), 11020, 1999