Výsledky vyhledávání - "Hans-Joerg Hofmann"

Structural Dimorphism of Achiral α,γ-Hybrid Peptide Foldamers: Coexistence of 12- and 15/17-Helices

Autor: Rajkumar Misra, K. Muruga Poopathi Raja, Hans-Joerg Hofmann, Hosahudya N. Gopi, Gijo George, Kuruva Veeresh, Abhijith Saseendran, Srinivasarao Raghothama

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany). 23(15)

Here, novel 12-helices in α,γ-hybrid peptides composed of achiral α-aminoisobutyric acid (Aib) and 4-aminoisocaproic acid (Aic, doubly homologated Aib) monomers in 1:1 alternation are reported. The 12-helices were indicated by solution and crystal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e5d9553d06e7bbf6bb10b840d2f8385
https://pubmed.ncbi.nlm.nih.gov/28052426

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Mechanism of thermal Z/E isomerization of substituted N-benzylidenanilines. Nature of the activated complex with an sp-hybridized nitrogen atom

Autor: Tsutomu Asano, Hans Joerg Hofmann, Renzo Cimiraglia, Mizue Fujio, Hiroyuki Furuta, Yuho Tsuno

In order to study the mechanism of thermal geometrical isomerization involving a sp 2 -hybridized nitrogen atom, Kinetic effects of substituent, solvent, and pressure were studied in substituted N-benzylideneanilines. The effect of the substituent on

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1e6d739f3ca75fc9daebeb30e5dc8cd4
http://hdl.handle.net/11392/1814903

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Quantum chemical calculations for the determination of the molecular structure of conjugated compounds

Autor: Frieder Birnstock, Hans-Joerg Hofmann

Publikováno v: Journal of Molecular Structure. 44:231-236

Contrary to the results of other semi-empirical all-valence electron methods, the main features concerning the conformation of trans -benzylideneaniline are correctly accounted for using the NDDO method. Based on a modified continuum model the influe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d830b329ae515753ec8d595aadc3e2fd
https://doi.org/10.1016/0022-2860(78)87033-1

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The CO2⋯HF complex: A theoretical study (4–31G, 6–31G* + dispersion energy) of the stationary points and thermodynamics of formation

Autor: Pavel Hobza, Rudolf Zahradník, Hans-Joerg Hofmann

Publikováno v: Journal of Molecular Structure: THEOCHEM. 85:241-247

Two stationary points have been found on the 4—31G energy hypersurface of CO 2 ⋯HF; the linear structure of the complex corresponds to a real minimum, whereas the C s structure represents a saddle point, Geometric and energy characteristics of th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fb8c2804d23293afdab4c64eb47353c7
https://doi.org/10.1016/0166-1280(81)85022-1

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Success of the NDDO method to predict conformations in conjugated systems

Autor: Peter Birner, Hans-Joerg Hofmann

Publikováno v: Chemical Physics Letters. 37:608-610

The potential functions for the rotation about the essential single bonds in some conjugated compounds as nitrobenzene, nitrosobenzene, benzoic acid, benzamide, acrolein, furfural and phenol have been calculated using the NDDO formalism. Contrary to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::95fbcfc09060d9e86c3de2eec784b672
https://doi.org/10.1016/0009-2614(76)85049-x

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