Zobrazeno 1 - 10
of 507
pro vyhledávání: '"Joachim, Sauer"'
Autor:
Nikita Hanikel, Daria Kurandina, Saumil Chheda, Zhiling Zheng, Zichao Rong, S. Ephraim Neumann, Joachim Sauer, J. Ilja Siepmann, Laura Gagliardi, Omar M. Yaghi
Publikováno v:
ACS central science, vol 9, iss 3
A linker extension strategy for generating metal-organic frameworks (MOFs) with superior moisture-capturing properties is presented. Applying this design approach involving experiment and computation results in MOF-LA2-1 {[Al(OH)(PZVDC)], where PZVDC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba7c9558691ef2bb80a92f14abeec21e
https://doi.org/10.1021/acscentsci.3c00018
https://doi.org/10.1021/acscentsci.3c00018
Publikováno v:
ACS Catalysis. 13:2011-2024
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c999ab8f88ff600d6874a8cf9da8e852
https://doi.org/10.1021/acscatal.2c05493
https://doi.org/10.1021/acscatal.2c05493
Publikováno v:
Erwachsenenbildung. 68:139-144
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d482559db761958836761954ebf980b
https://doi.org/10.13109/erbi.2022.68.3-4.139
https://doi.org/10.13109/erbi.2022.68.3-4.139
Publikováno v:
The Journal of Physical Chemistry Letters. 13:11595-11600
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c0d1377ea0b379135822b4b6a4d8a5e5
https://doi.org/10.1021/acs.jpclett.2c03302
https://doi.org/10.1021/acs.jpclett.2c03302
Autor:
Marcin Rybicki, Joachim Sauer
Publikováno v:
Journal of Chemical Theory and Computation. 18:5618-5635
We present an anharmonic approach for molecule-surface vibrations that employs rigid body coordinates, based on the Rodrigues rotation formula, to describe curvilinear displacements (rotations and translations) of the molecule along normal modes. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1ed7d87745a3f96f418748dd99611a57
https://doi.org/10.1021/acs.jctc.2c00597
https://doi.org/10.1021/acs.jctc.2c00597
Publikováno v:
Angewandte Chemie
Angewandte Chemie International Edition
Angewandte Chemie International Edition
The location of Brønsted-acid sites (bridging OH groups, b-OH) at different crystallographic positions of zeolite catalysts influences their reactivity due to varying confinement. Selecting the most stable b-OH conformers at each of the 12 T-sites (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b037fb9f9ab91dcd0d1908f4f39216a2
https://doi.org/10.1002/anie.202303204
https://doi.org/10.1002/anie.202303204
Publikováno v:
Apply Data Science ISBN: 9783658387976
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81ee7aa8e52afa46b5fef990d8169d59
https://doi.org/10.1007/978-3-658-38798-3_5
https://doi.org/10.1007/978-3-658-38798-3_5
Autor:
Mauricio J. Prieto, Thomas Mullan, Weiming Wan, Liviu C. Tănase, Lucas de Souza Caldas, Shamil Shaikhutdinov, Joachim Sauer, Denis Usvyat, Thomas Schmidt, Beatriz Roldan Cuenya
Publikováno v:
ACS Applied Materials and Interfaces
Ultrathin silica films are considered suitable two-dimensional model systems for the study of fundamental chemical and physical properties of all-silica zeolites and their derivatives, as well as novel supports for the stabilization of single atoms.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90e9b1857d1cb6903b579707f6aef1a2
https://hdl.handle.net/21.11116/0000-000B-6741-821.11116/0000-000B-6743-6
https://hdl.handle.net/21.11116/0000-000B-6741-821.11116/0000-000B-6743-6
Autor:
Joachim Sauer, Nikita Hanikel, Laura Gagliardi, Hao Lyu, Wooseok Jeong, Xiaokun Pei, Omar M. Yaghi, Saumil Chheda
Publikováno v:
Science. 374:454-459
Although the positions of water guests in porous crystals can be identified, determination of their filling sequence remains challenging. We deciphered the water-filling mechanism for the state-of-the-art water-harvesting metal-organic framework MOF-
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::516d2316be04fdc07f9b8b2e77ab321c
https://doi.org/10.1126/science.abj0890
https://doi.org/10.1126/science.abj0890
Autor:
Sreekanta Debnath, Marcel Jorewitz, Knut R. Asmis, Fabian Müller, Julius B. Stückrath, Florian A. Bischoff, Joachim Sauer
Publikováno v:
Physical Chemistry Chemical Physics
The infrared photodissociation spectra of He-tagged (Al2O3)nFeO+ (n = 2–5), are reported in the Al-O and Fe-O stretching and bending spectral region (430–1200 cm-1) and assigned based on calculated harmonic IR spectra from density functional theo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f795fa81a66060fa882cd80087ed0afe
https://hdl.handle.net/21.11116/0000-000A-E1A4-E21.11116/0000-000A-E1CC-2
https://hdl.handle.net/21.11116/0000-000A-E1A4-E21.11116/0000-000A-E1CC-2