Water dimer vibration–rotation tunnelling levels from vibrationally averaged monomer wavefunctions

Autor: Jonathan Tennyson, Ross E. A. Kelly, Ad van der Avoird, Gerrit C. Groenenboom

Publikováno v: Journal of Quantitative Spectroscopy & Radiative Transfer, 111, 9, pp. 1262-1276
Journal of Quantitative Spectroscopy & Radiative Transfer, 111, 1262-1276

The vibration–rotation tunnelling (VRT) spectra for the water dimer obtained by vibrationally averaging the dimer potential over accurate water monomer wavefunctions is reported. The vibrational averaging requires evaluation of the 12D dimer potent

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::03adc47e54df81e50c1239ee162d15c6
https://doi.org/10.1016/j.jqsrt.2010.01.033

Two-Dimensional Supramolecular Nanopatterns Formed by the Coadsorption of Guanine and Uracil at the Liquid/Solid Interface

Autor: Mingdong Dong, Lev Kantorovich, Wael Mamdouh, Flemming Besenbacher, Ross E. A. Kelly

Publikováno v: Mamdouh, W, Kelly, R E A, Dong, M, Kantorovich, L N & Besenbacher, F 2007, ' Two-dimensional supramolecular nanopatterns formed by the coadsorption of guanine and uracil at the liquid/solid interface ', Journal of the American Chemical Society, vol. 130, no. 2, pp. 695-702 . https://doi.org/10.1021/ja076832f
Mamdouh, W, E. A. Kelly, R, Dong, M, N. Kantorovich, L & Besenbacher, F 2008, ' Two-Dimensional Supramolecular Nanopatterns Formed by the Coadsorption of Guanine and Uracil at the Liquid/SolidInterface ', Journal of the American Chemical Society, vol. 130, pp. 695-702 . https://doi.org/10.1021/ja076832f

Udgivelsesdato: 2008-Jan-16 A novel supramolecular nanostructure formed by the coadsorption of the complementary nucleobases guanine (G) and uracil (U) at the liquid (1-octanol solvent)/solid (graphite) interface is revealed by scanning tunneling mic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b0a97aa981b45a84167999c84f38c2ae
https://doi.org/10.1021/ja076832f

Coexistence of Homochiral and Heterochiral Adenine Domains at the Liquid/Solid Interface

Autor: Ross E. A. Kelly, Wael Mamdouh, Mingdong Dong, Flemming Besenbacher, Lev Kantorovich

Publikováno v: Mamdouh, W, Dong, M, Kelly, R E A, Kantorovich, L N & Besenbacher, F 2007, ' Coexistence of homochiral and heterochiral adenine domains at the liquid/solid interface ', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 111, pp. 12048-12052 . https://doi.org/10.1021/jp076623h
Mamdouh, W, Dong, M, Kelly, R E A, Kantorovich, L N & Besenbacher, F 2007, ' Coexistence of homochiral and heterochiral adenine domains at the liquid/solid interface ', Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, vol. 111, no. 42, pp. 12048-52 . https://doi.org/10.1021/jp076623h

Udgivelsesdato: 2007-Oct-25 In this work, the self-assembly of the DNA base molecule adenine (A) is imaged with high-resolution scanning tunneling microscopy (STM) at the liquid (1-octanol)/solid (HOPG) interface at room temperature. Rather surprisin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::388f9d147aacf54b3c491c73d9d0ae78
https://doi.org/10.1021/jp076623h

Homopairing Possibilities of the DNA Bases Cytosine and Guanine: An ab Initio DFT Study

Autor: Ross E. A. Kelly, Lev Kantorovich, Y. J. Lee

Publikováno v: The Journal of Physical Chemistry B. 109:22045-22052

All the planar homopairings of cytosine and guanine are reported for the first time in this study. The idea of binding sites suggested for the simple case of adenine homopairs (J. Phys. Chem. B 2005, 109, 11933) is shown to be applicable to more comp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6210384d415a2c400bb4a92092105938
https://doi.org/10.1021/jp055207z

Homochiral Xanthine Quintet Networks Self-Assembled on Au(111) Surfaces

Autor: Henkjan Gersen, Miao Yu, Wei Xu, Ross E. A. Kelly, Erik Lægsgaard, Jianguo Wang, Flemming Besenbacher, Jørgen Kjems, Trolle R. Linderoth, Ivan Stensgaard, Qiangqiang Meng, Manuela Mura, Lev Kantorovich

Publikováno v: Yu, M, Wang, J, Mura, M, Meng, Q-Q, Xu, W, Gersen, H, Lægsgaard, E, Stensgaard, I, Kelly, R E A, Kjems, J, Linderoth, T R, Kantorovich, L N & Besenbacher, F 2011, ' Homochiral Xanthine Quintet Networks Self-Assembled on Au(111) Surfaces ', ACS Nano, vol. 5, no. 8, pp. 6651-6660 . https://doi.org/10.1021/nn202157m
ACS Nano

Xanthine molecule is an intermediate in nucleic acid degradation from the deamination of guanine and is also a compound present in the ancient solar system that is found in high concentrations in extraterrestrial meteorites. The self-assembly of xant

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef975ad62eb0b1a3eb0b7b2b338fd55a
https://pure.au.dk/portal/da/publications/homochiral-xanthine-quintet-networks-selfassembled-on-au111-surfaces(dc6a800b-ebcc-4fa7-bc2c-1a105b9dd1a9).html