Zobrazeno 1 - 10
of 217
pro vyhledávání: '"David A. Micha"'
Publikováno v:
Physical Chemistry Chemical Physics. 25:14757-14765
Silver metal clusters supported by a silicon solid surface show molecular electronic structure requiring ab initio treatments, and they also can display collective electronic phenomena similar to plasmons in metal solids.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f8b2afa9f8589752ce4f45224ced558
https://doi.org/10.1039/d2cp04922h
https://doi.org/10.1039/d2cp04922h
Publikováno v:
The Journal of chemical physics. 156(10)
A theoretical treatment based on the equations of motion of an electronic reduced density matrix, and related computational modeling, is used to describe and calculate relaxation times for nanostructured TiO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::088a45055eba34d24c898dc7e57d192c
https://pubmed.ncbi.nlm.nih.gov/35291769
https://pubmed.ncbi.nlm.nih.gov/35291769
Autor:
David A. Micha
Publikováno v:
Advances in Quantum Chemistry ISBN: 9780323991889
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::70568f0d5f68d81c2c0f33bd69ce4e67
https://doi.org/10.1016/bs.aiq.2022.03.001
https://doi.org/10.1016/bs.aiq.2022.03.001
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
8 pags., 5 figs., 1 tab. -- 58TH SANIBEL SYMPOSIUM
The present studies of the atomic Ag adsorbate on the substrate TiO2(110) explore the importance of dispersion (or van der Waals) energies for determining the structure of the adsorbed Ag atom,
The present studies of the atomic Ag adsorbate on the substrate TiO2(110) explore the importance of dispersion (or van der Waals) energies for determining the structure of the adsorbed Ag atom,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a2c378cdfbf12594b5c0a91333d0436
https://doi.org/10.1080/00268976.2018.1533651
https://doi.org/10.1080/00268976.2018.1533651
Autor:
David A. Micha, Alexander O. Mitrushchenkov, Carlos Cabrillo, Tijo Vazhappilly, María Pilar de Lara-Castells
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20, pp.19110-19119. ⟨10.1039/C8CP02853B⟩
Digital.CSIC. Repositorio Institucional del CSIC
instname
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20, pp.19110-19119. ⟨10.1039/C8CP02853B⟩
Digital.CSIC. Repositorio Institucional del CSIC
instname
10 pags., 6 figs., 2 tabs.
A first-principles study of the stability and optical response of subnanometer silver clusters Ag-n (n 5) on a TiO2(110) surface is presented. First, the adequacy of the vdW-corrected DFT-D3 approach is assessed using
A first-principles study of the stability and optical response of subnanometer silver clusters Ag-n (n 5) on a TiO2(110) surface is presented. First, the adequacy of the vdW-corrected DFT-D3 approach is assessed using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d2b63bcbbfa30bfeffab9a8189fbbfb
https://doi.org/10.1039/c8cp02853b
https://doi.org/10.1039/c8cp02853b
Autor:
David A. Micha, Tijo Vazhappilly
Publikováno v:
ACS Symposium Series ISBN: 9780841235540
ACS Symposium Series
ACS Symposium Series
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::43afda9866c86ae69a75bb67dccef089
https://doi.org/10.1021/bk-2019-1331.ch003
https://doi.org/10.1021/bk-2019-1331.ch003
Autor:
David A. Micha
A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems – emphasizing concepts and meth
Autor:
Dmitri Kilin, Svetlana Kilina, Yulun Han, Talgat Inerbaev, Aaron Forde, Stephanie J. Jensen, Shuping Huang, Yuruo Hua, Dimitri S. Kilin, Tijo Vazhappilly, David A. Micha, Dong Wang, Fei Li, Jian-Fu Chen, Hai-Feng Wang, Xiao-Ming Cao, Peijun Hu, Xue-Qing Gong, Brendan Barrow, Dhara J. Trivedi, Peng Cui, Mohammed Jabed, Dayton J. Vogel, Andrei Kryjevski, Brendan J. Gifford, Dan Ren, Jing Gao, Michael Grätzel, Henrik H. Kristoffersen, Jin Hyun Chang, Yu Zhang, Tammie Nelson, Sergei Tretiak, Bakhtiyor Rasulev, Ana Lončarić Božić, Dionysios D. Dionysiou, Hrvoje Kušić, Artem Pimachev, Robert D. Nielsen, Anri Karanovich, Vitaly Proshchenko, Yuri Dahnovsky, Xin-Ping Wu, Donald G. Truhlar, Clint N. Evrard, Andrew D. Mahler, Lee M. Thompson
Autor:
María Pilar, de Lara-Castells, Carlos, Cabrillo, David A, Micha, Alexander O, Mitrushchenkov, Tijo, Vazhappilly
Publikováno v:
Physical chemistry chemical physics : PCCP. 20(28)
A first-principles study of the stability and optical response of subnanometer silver clusters Agn (n ≤ 5) on a TiO2(110) surface is presented. First, the adequacy of the vdW-corrected DFT-D3 approach is assessed using the domain-based pair natural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::46dd761c13b2b99965937505fb940c98
https://pubmed.ncbi.nlm.nih.gov/29974080
https://pubmed.ncbi.nlm.nih.gov/29974080