Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Libuše Šroubková"'
Autor:
Libuše Šroubková, Rudolf Zahradník
Publikováno v:
International Journal of Quantum Chemistry. 104:52-63
Complete basis set (CBS) values are sought either for highly accurate molecular characteristics of small species (e.g., pairs of rare gas atoms or the HF dimer) or for medium-size molecules or ions (e.g., bases of nucleic acids, the benzene dimer). I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b32535a0018be214f85825959673207e
https://doi.org/10.1002/qua.20579
https://doi.org/10.1002/qua.20579
Autor:
Rudolf Zahradník, Libuše Šroubková
Publikováno v:
Israel Journal of Chemistry. 43:243-265
The large number of quantum chemical procedures and modifications thereof has for decades made difficult the comparison of results from various laboratories. In the realm of nonempirical calculations it has become possible to overcome the most seriou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba3e9b3b48bbc6c41b3e86d9d7d20f6f
https://doi.org/10.1560/kjpv-mpgq-nvvx-252k
https://doi.org/10.1560/kjpv-mpgq-nvvx-252k
Autor:
Rudolf Zahradník, Libuše Šroubková
Publikováno v:
Helvetica Chimica Acta. 86:979-1000
A recently described very simple procedure for estimating Hartree–Fock (H. F.) energy and accurate nonrelativistic energy has been used with simple hydrocarbons possessing CC or CC bonds and for the acetylene dimer. Experimental characteristics (he
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1b278b974a301543a9870bea2acb60ca
https://doi.org/10.1002/hlca.200390115
https://doi.org/10.1002/hlca.200390115
Autor:
Rudolf Zahradník, Libuše Šroubková
Publikováno v:
Helvetica Chimica Acta. 84:1328-1341
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e6f64b30d70e80eeef6a5200d1a1334
https://doi.org/10.1002/1522-2675(20010613)84:6<1328::aid-hlca1328>3.0.co
https://doi.org/10.1002/1522-2675(20010613)84:6<1328::aid-hlca1328>3.0.co
Autor:
Libuše Šroubková, Peter A. Mirau, Zhenglin Yan, Rudolf Zahradník, Tung-Feng Yeh, David G. Schmidling, Arnost Reiser
Publikováno v:
Macromolecules. 34:2901-2907
Interaction between OH groups can produce large acidity increases in phenolic systems. We report here on the behavior of a group of oligomers of p-cresol, where the cresol units are linked to each other by −CH2− bridges. In this series the acid d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::321f9d2cfcd2e1f00ff1dc74080d500a
https://doi.org/10.1021/ma0015727
https://doi.org/10.1021/ma0015727
Publikováno v:
Macromolecules. 31:6549-6553
The photoreactive function and the inhibitor function of the Photoactive components (PACs) of dissolution inhibition resists are independent of each other and have to be considered and developed separately. Traditionally, dissolution inhibitors have
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b01efead3aa7d44e4ce2ecf1c41c2e7d
https://doi.org/10.1021/ma980574c
https://doi.org/10.1021/ma980574c
Autor:
Libuše Šroubková, Rudolf Zahradník
Publikováno v:
Helvetica Chimica Acta. 80:2100-2111
The reactions indicated in the title have been studied in terms of direct processes and complex formation. Quantum-chemical methods have been applied to the passage of an acid (H+, CH, X+) from CH3X+· to CH3X, and the abstraction of a radical (H· C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba53e6ced1f49f4a7f4f7c14ba87fd1c
https://doi.org/10.1002/hlca.19970800710
https://doi.org/10.1002/hlca.19970800710
Publikováno v:
Collection of Czechoslovak Chemical Communications. 62:147-153
Quantum chemical calculations for model processes CH2=O + CH2=O-• ⇌ CH3O- + CH=O• and C6H5CH=O + C6H5CH=O-• ⇌ C6H5CH2O- + C6H5C=O• indicate convincingly their endoergicity. Therefore, spontaneous gas-phase Cannizzaro-type reaction between
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f2e31d31ae7fbbac64bc54537f4cf3f6
https://doi.org/10.1135/cccc19970147
https://doi.org/10.1135/cccc19970147
Autor:
Rudolf Zahradník, Libuše Šroubková
Publikováno v:
ChemInform. 29
The reactions indicated in the title have been studied in terms of direct processes and complex formation. Quantum-chemical methods have been applied to the passage of an acid (H+, CH, X+) from CH3X+· to CH3X, and the abstraction of a radical (H· C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13d5e0cc01bee7d7578e146c78e9896b
https://doi.org/10.1002/chin.199804052
https://doi.org/10.1002/chin.199804052