Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Yuri B. Vysotsky"'
Publikováno v:
ACS Omega, Vol 5, Iss 49, Pp 32032-32039 (2020)
Externí odkaz:
https://doaj.org/article/774e23252b0645ca8180b7f0da9e79c4
Autor:
Elena S. Kartashynska, Yuri B. Vysotsky, Dieter Vollhardt, Valentin B. Fainerman, Anatoly Yu. Zakharov
Publikováno v:
ACS Omega, Vol 3, Iss 12, Pp 16693-16705 (2018)
Externí odkaz:
https://doaj.org/article/47537ff1795d4f0d9b0e4c853e25ad4c
Publikováno v:
ACS Omega, Vol 5, Iss 49, Pp 32032-32039 (2020)
ACS Omega
ACS Omega
To assess the surface basicity constant (pK b) of aliphatic amine films, the use of a theoretical approach recently developed to evaluate the pK a of carboxylic acid monolayers on the water surface is tested. The present paper gives a new full pictur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c12e9835c7ac8e918edb16a24873cac9
https://doaj.org/article/774e23252b0645ca8180b7f0da9e79c4
https://doaj.org/article/774e23252b0645ca8180b7f0da9e79c4
Publikováno v:
The Journal of Physical Chemistry C
In the present study a theoretical approach is proposed for the pKa estimation of monolayers at the air/water interface on the basis of saturated carboxylic acids. This model involves calculating o...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a094e6a9ad5a359b68b58f1af383ec77
https://doi.org/10.1021/acs.jpcc.0c03785
https://doi.org/10.1021/acs.jpcc.0c03785
Autor:
E. S. Kartashynska, Valentin B. Fainerman, Yuri B. Vysotsky, Dieter Vollhardt, Anatoly Yu. Zakharov
Publikováno v:
ACS Omega, Vol 3, Iss 12, Pp 16693-16705 (2018)
ACS Omega
ACS Omega
The thermodynamic parameters of formation and clusterization of aliphatic alcohols C n H2n+1OH and carboxylic acids C n H2n+1COOH (n = 6-16) are calculated using the quantum-chemical semiempirical PM3 method. Four types of dimers are constructed in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4549363008d95fa6e6612a12a5c0e9b
https://doi.org/10.1021/acsomega.8b02583
https://doi.org/10.1021/acsomega.8b02583
Autor:
Valentine B. Fainerman, E. S. Kartashynska, Natalia A. Smirnova, Elena Belyaeva, Yuri B. Vysotsky
Publikováno v:
The Journal of Physical Chemistry B. 119:3281-3296
A new model based on the quantum chemical approach is proposed to describe structural and thermodynamic parameters of clusterization for substituted alkanes at the air/liquid and liquid/liquid interfaces. The new model by the authors, unlike the prev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0015587d304481327d573f0af8f7348
https://doi.org/10.1021/jp512099x
https://doi.org/10.1021/jp512099x
Autor:
Reinhard Miller, Valentin B. Fainerman, Yuri B. Vysotsky, E. A. Belyaeva, E. S. Kartashynska, Dieter Vollhardt
Publikováno v:
Physical chemistry chemical physics : PCCP. 16(45)
In the framework of the quantum chemical semiempirical PM3 method the monolayers of the monoethoxylated normal alcohols CnH2n+1OCH2CH2OH with n = 6–16 (CnE1) at the air/water interface are described. The optimized structures of small clusters (dime
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::559554de8c120493d9b7da6c915a9271
https://pubmed.ncbi.nlm.nih.gov/25330745
https://pubmed.ncbi.nlm.nih.gov/25330745
Publikováno v:
Soft Matter. 9:7601
In the framework of the quantum chemical semiempirical PM3 method, the thermodynamic and structural parameters of formation and clusterization were calculated for 2-hydroxycarboxylic acids with the general formula CnH2n+1CHOHCOOH (n = 5–15). Dimers
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::936e1df911657428bcf80a7d12f833a9
https://doi.org/10.1039/c3sm51094h
https://doi.org/10.1039/c3sm51094h
Publikováno v:
Physical Chemistry Chemical Physics. 15:2159
In the framework of the quantum chemical semiempirical PM3 method thermodynamic and structural parameters of the formation and clusterization of aliphatic alcohols C(n)H(2n+1)OH (n(OH) = 8-16) at 298 K at the water/alkane vapor C(n)H(2n+2), (n(CH(3))
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73ab06ea0141bb1a5833a5867e4c7243
https://doi.org/10.1039/c2cp43713a
https://doi.org/10.1039/c2cp43713a
Publikováno v:
Theoretica Chimica Acta. 59:467-485
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::60e42f09cb1def1d0ec9b5f5984c790c
https://doi.org/10.1007/bf00938690
https://doi.org/10.1007/bf00938690