Zobrazeno 1 - 10
of 36
pro vyhledávání: '"Nicolaas J. R. van Eikema Hommes"'
Autor:
Nigel G. J. Richards, Ashish Radadiya, Lukas Eberlein, Frank R. Beierlein, Stefan M. Kast, Timothy Clark, Steve A. Benner, Nicolaas J. R. van Eikema Hommes, Jochen Heil
Publikováno v:
J Chem Theory Comput
Evolution has yielded biopolymers that are constructed from exactly four building blocks and are able to support Darwinian evolution. Synthetic biology aims to extend this alphabet, and we recently showed that 8-letter (hachimoji) DNA can support rul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::004cd0eb4534e60e1e078ada70cb0ea6
https://orca.cardiff.ac.uk/id/eprint/130401/1/PP.pdf
https://orca.cardiff.ac.uk/id/eprint/130401/1/PP.pdf
Autor:
Boggavarapu Kiran, Haijun Jiao, Mariappan Manoharan, Zhi-Xiang Wang, Ralph Puchta, Paul von Ragué Schleyer, Nicolaas J. R. van Eikema Hommes
Publikováno v:
Organic Letters. 3:2465-2468
Analysis of the basic π-aromatic (benzene) and antiaromatic (cyclobutadiene) systems by dissected nucleus-independent chemical shifts (NICS) shows the contrasting diatropic and paratropic effects, but also reveals subtleties and unexpected details.
Publikováno v:
Journal of Molecular Modeling. 6:563-574
High level ab initio and density functional calculations, extrapolated to QCISD(T)/6-311+G(3df,2p)//MP2/6-31+G**+ZPE, reveal that cyclic ion pairs can form in the hydrogen bonded complexes of haloboric acids BHnX3-n–HX, X=F, Cl, with Lewis bases HX
Autor:
Marcin Wisiorowski, Michatl K. Cyrañski, Tadeusz M. Krygowski, Nicolaas J. R. van Eikema Hommes, Paul von Ragué Schleyer
Publikováno v:
Angewandte Chemie International Edition. 37:177-180
Two pyrrole rings participate in the aromatic structure of porphyrin. Hence, a 22 π-electron description is better than the usual [18]annulene representation. The dianion and the metal complex system favor different electronic structures.
Autor:
Nicolaas J. R. van Eikema Hommes, Tadeusz M. Krygowski, Marcin Wisiorowski, Paul von Ragué Schleyer, Michał K. Cyrański
Publikováno v:
Angewandte Chemie. 110:187-190
Zwei Pyrrolringe sind Bestandteil der aromatischen Struktur von Porphyrin. Daher sollte es eher als 22π-Elektronensystem (siehe rechts) denn als [18]Annulen beschrieben werden. Dagegen bevorzugen sowohl das Dianion als auch die Metallkomplexe grundl
Autor:
Timothy Clark, Lothar Dunsch, Harald Mauser, Andreas Hirsch, Alois Weidinger, B. Pietzak, Nicolaas J. R. van Eikema Hommes
Publikováno v:
Angewandte Chemie. 109:2858-2861
Publikováno v:
Journal of Molecular Modeling. 3:415-422
Do the chemical properties of the surface of a carbon sheet depend on its shape? This question addresses a criterion for chemical behaviour that has hardly been investigated previously. The current neglect of this question may be due to the fact that
Autor:
Alois Weidinger, Lothar Dunsch, Andreas Hirsch, Nicolaas J. R. van Eikema Hommes, Timothy Clark, Harald Mauser, B. Pietzak
Publikováno v:
Scopus-Elsevier
Autor:
and Célia Fonseca Guerra, Nicolaas J. R. van Eikema Hommes, F. Matthias Bickelhaupt, Evert Jan Baerends
Publikováno v:
Organometallics. 15:2923-2931
The monomer, dimer, and tetramer of methyllithium, (CH3Li)n (n = 1, 2, 4), have been studied with use of density-functional (DFT) and conventional ab initio theory. The energy gain ΔE associated with the formation of (CH3−Li)n from n Li• and n C
Publikováno v:
Journal of the American Chemical Society. 116:2508-2514