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Inne
Journal of Molecular Structure-Theochem
Tytuł skrócony
J. Mol. Struct.-Theochem
ISSN
0166-1280
eISSN
1872-7999
Adres internetowy
https://www.sciencedirect.com/journal/journal-of-molecular-structure-the...
Wydawca
Impact factor
MNiSW
Publikacje z czasopisma
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride.
Dopieralski Przemysław, Panek Jarosław, Mierzwicki Krzysztof, Latajka Zdzisław, Ratajczak Henryk, Barnes Austin J.
Electronic structure, Raman and infrared spectra, and vibrational assignment of carboplatin. Density functional theory studies.
Wysokiński Rafał, Kuduk-Jaworska Janina, Michalska D.
A potential route to the formation of alkylidene ligand from two mutually cis alkene ligands: a DFT study.
Handzlik Jarosław, Górski Marcin, Szymańska-Buzar Teresa
Effect of hydrogen bonds on physical properties of ammonium dihydrogenphosphate crystals.
Xue D., Ratajczak Henryk
DFT study of a novel lead structure in the isoxazole heterocyclic system.
Jezierska Aneta, Panek Jarosław, Ryng Stanisław
Strengthening of the intramolecular hydrogen bond in 7-ethylsalicylidene aniline due to steric repulsion.
Mandal Abhijit, Filarowski Aleksander, Głowiak Tadeusz, Koll Aleksander, Mukherjee Samaresh
Geometry and tautomerism of sapphyrin - DFT studies.
Szterenberg Ludmiła, Latos-Grażyński Lechosław
Periodic Hartree-Fock study of (HF)∞ chain.
Berski Sławomir, Latajka Zdzisław
Density functional study of the H3N-Cl2 system - the importance of Hartree-Fock exchange in density functional methods.
Latajka Zdzisław, Berski Sławomir
Structure and energetics of SO2-X- (X = F, Cl, Br and I) complexes.
Latajka Zdzisław, Ratajczak Henryk, Wasif S., Salama S. B.
Ab initio study of the SiH5 species.
Moc Jerzy, Rudziński Jerzy M., Ratajczak Henryk
Dissection of basis set superposition error at SCF and correlated levels : HF dimer.
Latajka Zdzisław, Scheiner Steve
The strange behaviour of the hydrogen bond complexes of 1,8-bis(dimethylamino) naphthalene in solution.
Pawełka Zbigniew, Zeegers-Huyskens Th.