Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Hans Benedict"'
Autor:
Nikolai S. Golubev, Peter M. Tolstoy, Hans Benedict, Mariusz Pietrzak, Gleb S. Denisov, Hans-Heinrich Limbach
Publikováno v:
Journal of Molecular Structure. 706:115-119
In this paper, empirical corrections for anharmonic ground-state vibrations of hydrogen and deuterium in the hydrogen bridges A–L⋯B, L=H, D are introduced into the geometric hydrogen bond correlation analysis based on the empirical Pauling valenc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f728abfbf6a2aa98b5f2da62bc12747f
https://doi.org/10.1016/j.molstruc.2004.03.006
https://doi.org/10.1016/j.molstruc.2004.03.006
Autor:
Vladimir G. Malkin, Hans Benedict, Gleb S. Denisov, Ilja G. Shenderovich, Olga L. Malkina, Hans-Heinrich Limbach, Nikolai S. Golubev,†,‖ and
Publikováno v:
Journal of the American Chemical Society. 122:1979-1988
Ab initio calculations of the scalar coupling constants 1J15N-1H ≡ JNH and 2J15N···15N ≡ JNN of the N−H···N hydrogen bonds in the anion [C⋮15N···L···15N⋮C]- (1), L = H, D, and of the cyclic hydroge...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8700999758b0074c15f9c0bc6693baff
https://doi.org/10.1021/ja9907461
https://doi.org/10.1021/ja9907461
Autor:
Hans Benedict, Richard L. Schowen, Maurice M. Kreevoy, Hans-Heinrich Limbach, Nikolai S. Golubev, Gleb S. Denisov, Sergei N. Smirnov
Publikováno v:
Canadian Journal of Chemistry. 77:943-949
We have followed by NMR the zero-point energy changes of the hydrogen bond proton in 1:1 acid-base complexes AHB triple bond {AH···B Aδ-···H···Bδ+ A-···HB+} as a function of the proton position between A and B. For this purpose, the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66a997cb4adb71e085ee7a8ada7ff174
https://doi.org/10.1139/v99-096
https://doi.org/10.1139/v99-096
Autor:
Hans-Heinrich Limbach, Martin Wehlan, ‡ Wolf-Peter Fehlhammer, Rudolf Janoschek, Hans Benedict, and Nicolai S. Golubev
Publikováno v:
Journal of the American Chemical Society. 120:2939-2950
Using a combination of high resolution and dipolar solid state 15N NMR we have determined H/D isotope effects on the nitrogen-hydron (L = H, D) distances and 15N chemical shielding tensors of strongly hydrogen bonded bisisocyanide salts of the type [
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2fa94db54b677fb3c35d21eefda658d9
https://doi.org/10.1021/ja9719790
https://doi.org/10.1021/ja9719790
Autor:
Gleb S. Denisov, José Elguero, Hans-Heinrich Limbach, Ibon Alkorta, Mar Ramos, N. S. Golubev, Hans Benedict
Publikováno v:
The Journal of Physical Chemistry A. 101:9791-9800
Matrix effects on the optimized geometries and the electronic properties of acid−base complexes XHB, with HX = HF, HCl, HBr, HCN and B = NH3, have been modeled using ab initio methods (6-31G** and 6-311++G** basis sets) in two different ways. Model
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9bebe57e11241a8619d0830319ffad7c
https://doi.org/10.1021/jp972586q
https://doi.org/10.1021/jp972586q
Autor:
Martin Wehlan, Hans-Heinrich Limbach, Hans Benedict, Francisco Aguilar-Parrilla, ‡ Wolf-Peter Fehlhammer, Christoph Hoelger, Rudolf Janoschek
Publikováno v:
Journal of Molecular Structure. 378:11-16
In this study, hydrogen/deuterium isotope effects on the geometry and the 15N NMR chemical shifts of strongly hydrogen bonded, solid hydrogen-bisisocyanide salts of the type [MCN⋯L⋯NCM]−X+ 1 (L H, D) are described both experimen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1577ad6d80858118e34885cd20ba2583
https://doi.org/10.1016/0022-2860(95)09143-2
https://doi.org/10.1016/0022-2860(95)09143-2
Autor:
Gleb S. Denisov, Sergei N. Smirnov, Hans-Heinrich Limbach, Nikolai S. Golubev, Parwin Schah-Mohammedi, Hans Benedict
Publikováno v:
Journal of the American Chemical Society. 118:4094-4101
In this paper we describe H/D isotope effects on the chemical shifts of intermolecular hydrogen-bonded complexes exhibiting low barriers for proton transfer, as a function of the position of the hydrogen bond proton. For this purpose, low-temperature
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8d8ec6f4c9b0693d9cfb907c53588cd9
https://doi.org/10.1021/ja953445+
https://doi.org/10.1021/ja953445+
Publikováno v:
The Journal of Physical Chemistry. 98:843-851
NMR relaxometry combined with high-resolution solid-state NMR techniques has been explored as a kinetic tool for the study of ultrafast proton transfers in solids. Rate constants of proton transfer are obtained in the milli- to nanosecond time scale
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb42846eaa08d0fc1fe6d36af9a40545
https://doi.org/10.1021/j100054a020
https://doi.org/10.1021/j100054a020
Autor:
Hans-Heinrich Limbach, Bruno Chaudret, José Elguero, John A. S. Smith, Jürgen Braun, Ch. Hoelger, Hans Benedict, Gerd Buntkowsky, Ludger Meschede, Gerd Scherer, Francisco Aguilar-Parrilla, Wolf Peter Fehlhammer, Bernd Wehrle
Publikováno v:
AIP Conference Proceedings.
In this paper recent developments and results of dynamic high resolution NMR spectroscopy in the study of elementary steps of proton transfers in liquids and solids are reviewed.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::644020c3e55acb98242c928b0210a58e
https://doi.org/10.1063/1.45383
https://doi.org/10.1063/1.45383
Autor:
Hans-Heinrich Limbach, Gleb S. Denisov, Sergei N. Smirnov, Nikolai S. Golubev, V. A. Gindin, Hans Benedict
Publikováno v:
Journal of the American Chemical Society. 116:12055-12056
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a215e35b6694a2b77fd425c9b0d81c07
https://doi.org/10.1021/ja00105a057
https://doi.org/10.1021/ja00105a057