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TU Wien Academic Press
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Year of Publication
Journal of Molecular Modeling
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Journal description
Title
Titel
Journal of Molecular Modeling
e-ISSN
0948-5023
ISSN
1610-2940
Publisher
Herausgeber
SPRINGER
Publications
Publikationen
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Peer-Reviewed
8
true
Author
6
Mikosch, Hans
4
Delchev, Vassil B.
2
Horkel, Ernst
1
Bakalska, Rumyana
1
Billes, Ferenc
1
Cherneva, Tsvetina
1
Delchev, Vassil
1
Delchev, Vassil B
1
Fröhlich, Johannes
1
Hametner, Christian
.
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Subject
7
Catalysis
7
Computational Theory and Mathematics
7
Computer Science Applications
7
Inorganic Chemistry
7
Organic Chemistry
7
Physical and Theoretical Chemistry
3
H-bonding
2
Ab initio calculations
2
Density functional calculations
2
Density functional methods
.
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Date issued
8
2000 - 2026
Publication Type
8
Article
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Results 1-8 of 8 (Search time: 0.002 seconds).
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Author(s)
Title
Type
Issue Date
1
Delchev, Vassil B.
; Mikosch, Hans
DFT study of the gas phase proton transfer in guanine assisted by water, methanol, and hydrogen peroxide
Artikel
Article
2006
2
Mikula, Hannes
; Svatunek, Dennis
; Skrinjar, Philipp
; Horkel, Ernst
; Hametner, Christian
; Fröhlich, Johannes
DFTstudy of the Lewis acid mediated synthesis of 3-acyltetramic acids
Artikel
Article
2014
3
Cherneva, Tsvetina
; Todorova, Mina
; Bakalska, Rumyana
; Horkel, Ernst
; Delchev, Vassil
Excited-state proton transfer in the rare isoguanine-isocytosine base pair in water solution
Article
Artikel
2025
4
Delchev, Vassil B
; Mikosch, Hans
H-bonded complexes between acetylacetone and two molecules of methanol: HF and DFT level study
Artikel
Article
2005
5
Delchev, Vassil B.
; Shterev, Ivan G.
; Mikosch, Hans
; Kochev, Nikolay T.
Investigation of the intermolecular proton transfer in the supersystems adenine - methanol/ethanol/i-propanol: a DFT levels study
Artikel
Article
2007
6
Delchev, Vassil B.
; Mikosch, Hans
Theoretical study of the hydrogen-bonded complexes of the serotonin-water/hydrogen peroxide
Artikel
Article
2006
7
Delchev, Vassil B.
; Mikosch, Hans
Theoretical study of the intermolecular H-bonding and intermolecular proton transfer between isocytosine tautomeric forms and R/S-lactic acid
Artikel
Article
2007
8
Billes, Ferenc
; Mohammed-Ziegler, Ildikó
; Mikosch, Hans
Transportation behavior of alkali ions through a cell membrane ion channel. A quantum chemical description of a simplified isolated model
Artikel
Article
2012