Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Rulin Feng"'
Autor:
Bangxiang Liu, Hengjia Zhu, Jinjin Liu, Mengzhu Wang, Jianming Pan, Rulin Feng, Panwang Hu, Xiangheng Niu
Publikováno v:
ACS Applied Materials & Interfaces. 15:24736-24746
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1bdbcce699b5a9cb08fa7258c3167cc4
https://doi.org/10.1021/acsami.3c02207
https://doi.org/10.1021/acsami.3c02207
Autor:
Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicholas F. Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E. Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G. Delcey, Luca De Vico, Werner Dobrautz, Sijia S. Dong, Rulin Feng, Nicolas Ferré, Michael Filatov(Gulak), Laura Gagliardi, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R. Hennefarth, Matthew R. Hermes, Chad E. Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S. Kaliakin, Marjan Khamesian, Daniel S. King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst D. Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C. D. Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S. Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M. Sand, Igor Schapiro, Thais R. Scott, Javier Segarra-Martí, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K. Staab, Tjerk P. Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G. Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David Yarkony, Chen Zhou, J. Patrick Zobel, Roland Lindh
Publikováno v:
Journal of Chemical Theory and Computation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e5c743fdd0f7bf1fbaab9b764bafcf81
https://doi.org/10.1021/acs.jctc.3c00182
https://doi.org/10.1021/acs.jctc.3c00182
Publikováno v:
Inorganic Chemistry. 60:17744-17757
A comprehensive ab initio study of periodic actinide-ligand bonding trends for trivalent actinides is performed. Relativistic density functional theory (DFT) and complete active-space (CAS) self-consistent field wavefunction calculations are used to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1143babd12545fe1a1950c1013b407f7
https://doi.org/10.1021/acs.inorgchem.1c02374
https://doi.org/10.1021/acs.inorgchem.1c02374
Publikováno v:
The Journal of Physical Chemistry A. 125:5335-5345
Accurate Pt-An bond dissociation enthalpies (BDEs) for PtAnOn+ (An = U, Np, Pu and n = 0-2) and the corresponding enthalpies for the Pt + OAnOn+ substitution reactions have been studied for the first time using an accurate composite coupled cluster a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9881268a96995a6d59782f752698de09
https://doi.org/10.1021/acs.jpca.1c03675
https://doi.org/10.1021/acs.jpca.1c03675
Autor:
Robert F. Higgins, Brian C. Manor, Liane M. Moreau, Rulin Feng, Haolin Yin, Patrick J. Carroll, Corwin H. Booth, Eric J. Schelter, Yusen Qiao, Jochen Autschbach
Publikováno v:
Chemical Science
A series of cerium(iv) mixed-ligand guanidinate–amide complexes, {[(Me3Si)2NC(NiPr)2]xCeIV[N(SiMe3)2]3−x}+ (x = 0–3), was prepared by chemical oxidation of the corresponding cerium(iii) complexes, where x = 1 and 2 represent novel complexes. Th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::02eb0d15ae91ceebb7c43c6fc1333811
https://doi.org/10.1039/d0sc05193d
https://doi.org/10.1039/d0sc05193d
Publikováno v:
Inorganic Chemistry. 59:4753-4763
Thermochemical and spectroscopic properties for actinyl complexes involving UO22+/1+/0 and NpO22+/1+/0 with N2 and CO, together with the UO2-O2, UO2+-O2, and UO2+-NO complexes, have been studied for the first time using an accurate composite coupled
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c573a82bff76a28e450fb3eb033a76d8
https://doi.org/10.1021/acs.inorgchem.9b03759
https://doi.org/10.1021/acs.inorgchem.9b03759
Autor:
Panwang Hu, Changkun Xia, Bangxiang Liu, Rulin Feng, Mengzhu Wang, Hengjia Zhu, Xiangheng Niu
Publikováno v:
Talanta. 253:124055
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b281d06b69f0744be8f63ce278637c6
https://doi.org/10.1016/j.talanta.2022.124055
https://doi.org/10.1016/j.talanta.2022.124055
Autor:
Bangxiang Liu, Hengjia Zhu, Rulin Feng, Mengzhu Wang, Panwang Hu, Jianming Pan, Xiangheng Niu
Publikováno v:
Sensors and Actuators B: Chemical. 370:132451
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::137e6d539ff83624adf5cbaeeb9e9545
https://doi.org/10.1016/j.snb.2022.132451
https://doi.org/10.1016/j.snb.2022.132451
Publikováno v:
The journal of physical chemistry. A. 125(24)
Accurate Pt-An bond dissociation enthalpies (BDEs) for PtAnO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::13b916a45c028303b005a6c3b46a6950
https://pubmed.ncbi.nlm.nih.gov/34114457
https://pubmed.ncbi.nlm.nih.gov/34114457
Publikováno v:
Physical Chemistry Chemical Physics. 21:7953-7964
Gas phase actinyl cation–cation interactions (CCIs) were studied by an accurate composite coupled cluster thermochemical approach for the first time. A number of CCI dimers were constructed from the monomers UO22+, UO2+, NpO22+, NpO2+, PuO2+, and A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d64712ab5d2e54463fe2ecc3bdaab75
https://doi.org/10.1039/c9cp00760a
https://doi.org/10.1039/c9cp00760a