Search Results - "Jański, J."

The electron attraction effect on the structure and properties of hydrogen bonded systems. Phenol-pyridine complex as an example by Jański, J., Orzechowski, K., Sobczyk, L.

“…[Display omitted] •Hydrogen-bonded complex with additional electron was considered.•The additional electron in phenol-pyridine complex is located mainly on…”
Get full text

Comparison of ab initio HF and DFT calculations of the structure and spectroscopy of two dimeric systems of chloro Yb(III) mono-phthalocyanine in polymeric lattice by Gerasymchuk, Y., Guzik, M., Jański, J., Boulon, George, Legendziewicz, J.

“…Lanthanide complexes with phthalocyanines (Pc) and porphyrins are of great interest because of their unique luminescence behavior and many applications. Our…”
Get full text

Comparative study of hydrolytic and electron-driven processes in carboplatin biotransformation by Kuduk-Jaworska, Janina, Jański, Jerzy J., Roszak, Szczepan

“…The results of computational simulation of reaction courses mimicking the transformation of carboplatin from pro-drug into its active shape, responsible for…”
Get full text

The hybrid models, containing hydrolytic and electron-driven processes, in theoretical study of oxaliplatin biotransformation by Kuduk-Jaworska, Janina, Jański, Jerzy J., Roszak, Szczepan

“…The results of theoretical simulations of reaction paths for oxaliplatin from pro-drug into its active form responsible for cytostatic effect are presented…”
Get full text

On 2:1 melamine – Squaric acid dihydrate complex: The structure and vibrational spectra by Nowicka-Scheibe, J., Pawlukojć, A., Sobczyk, L., Jański, J.

“…In the present paper we would like to describe the structural and dynamical properties of crystalline dihydrated complex of melamine…”
Get full text

Photophysical and theoretical studies of structure and spectroscopic behaviour of axially substituted Yb(III) mono-phthalocyanines in different media by Gerasymchuk, Yu, Tomachynski, L., Guzik, M., Koll, A., Jański, J., Guyot, Y., Stręk, W., Boulon, G., Legendziewicz, J.

“…This paper is devoted to photophysical studies of the acetato- and chloro-ytterbium monophthalocyanine complexes in different media. Ab initio H–F and DFT…”
Get full text

Non-empirical quantum chemical studies on electron transfer reactions in trans- and cis-diamminedichloroplatinum(II) complexes by Kuduk-Jaworska, Janina, Chojnacki, Henryk, Jański, Jerzy J.

“…The search was made for theoretical confirmation of hypothesis that mechanism of cisplatin cytotoxicity is based on dissociative electron transfer (ET)…”
Get full text

In silico approach to cisplatin toxicity. Quantum chemical studies on platinum(II)–cysteine systems by Chojnacki, Henryk, Kuduk-Jaworska, Janina, Jaroszewicz, Iwona, Jański, Jerzy J.

“…The behaviour of cisplatin in serum, and the drastic differences between the properties of this drug and its trans-isomer were the main motivations for this…”
Get full text

Photophysical properties and ab initio HF and DFT calculations of the structure and spectroscopy of axially chloro substituted Yb(III) mono-phthalocyanines in different systems by Gerasymchuk, Yu, Guzik, M., Lisiecki, R., Sobczyk, M., Jański, J., Koll, A., Boulon, G., Legendziewicz, J.

“…Lanthanide complexes with phthalocyanines (Pc) and porphyrins are of great interest because of unique luminescence behavior and many applications, mainly in…”
Get full text

Bifunctional influence of 3-chloro substitution on structural and energetic characteristics of N-methyl-salicylidene imines by Koll, A., Janski, J., Karpfen, A., Wolschann, P.

“…Energetic and structural effects of formation of intramolecular hydrogen bonds in the group of eight differently chloro-substituted ortho-hydroxy aromatic…”
Get full text

Solvent and Substitution Influence on the Character of Tautomers Resulting from Proton Transfer Reaction in Some Phenol Derivatives by Jański, J., Koll, A.

Get full text

Cryospectroscopic and ab initio anharmonic studies of acetylene–trimethylamine H-bonded complex by Rutkowski, K.S., Melikova, S.M., Janski, J., Koll, A.

“…FTIR spectroscopy in the range of fundamental and overtone bands and ab initio calculations show weak complex formation between acetylene and trimethylamine…”
Get full text

Debye-Waller factor for high-spin and low-spin iron/III/ dithiocarbamates by Drabent, K., Wolny, J., Jański, J., Wajda, S.

Get full text

Debye-Waller factor for high-spin and low-spin iron(III) dithiocarbamates by DRABENT, K, WOLNY, J, JANSKI, J, WAJDA, S

Get full text