Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
![]() |
Photosynthetic Antenna-Reaction Center Mimicry by Using Boron Dipyrromethene SensitizersEl-Khouly, Mohamed E. ; Fukuzumi, Shunichi ; D'Souza, FrancisChemphyschem, 2014-01, Vol.15 (1), p.30-47 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
2 |
Material Type: Artigo
|
![]() |
Crystal structure representations for machine learning models of formation energiesFaber, Felix ; Lindmaa, Alexander ; von Lilienfeld, O. Anatole ; Armiento, RickardInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1094-1101 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
3 |
Material Type: Artigo
|
![]() |
Relativistic Hamiltonians for Chemistry: A PrimerSaue, TrondChemphyschem, 2011-12, Vol.12 (17), p.3077-3094 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
4 |
Material Type: Artigo
|
![]() |
TD-DFT benchmarks: A reviewLaurent, Adèle D. ; Jacquemin, DenisInternational journal of quantum chemistry, 2013-09, Vol.113 (17), p.2019-2039 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
5 |
Material Type: Artigo
|
![]() |
Stimuli‐Responsive AIEgensZhang, Jing ; He, Benzhao ; Hu, Yubing ; Alam, Parvej ; Zhang, Haoke ; Lam, Jacky W. Y. ; Tang, Ben ZhongAdvanced materials (Weinheim), 2021-08, Vol.33 (32), p.e2008071-n/a [Periódico revisado por pares]Weinheim: Wiley Subscription Services, IncTexto completo disponível |
6 |
Material Type: Artigo
|
![]() |
Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical propertiesvon Lilienfeld, O. Anatole ; Ramakrishnan, Raghunathan ; Rupp, Matthias ; Knoll, AaronInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1084-1093 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
7 |
Material Type: Artigo
|
![]() |
Probing Contact‐Electrification‐Induced Electron and Ion Transfers at a Liquid–Solid InterfaceNie, Jinhui ; Ren, Zewei ; Xu, Liang ; Lin, Shiquan ; Zhan, Fei ; Chen, Xiangyu ; Wang, Zhong LinAdvanced materials (Weinheim), 2020-01, Vol.32 (2), p.e1905696-n/a [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
8 |
Material Type: Artigo
|
![]() |
System-Dependent Dispersion Coefficients for the DFT-D3 Treatment of Adsorption Processes on Ionic SurfacesEhrlich, Stephan ; Moellmann, Jonas ; Reckien, Werner ; Bredow, Thomas ; Grimme, StefanChemphyschem, 2011-12, Vol.12 (17), p.3414-3420 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
9 |
Material Type: Artigo
|
![]() |
CRYSTAL14: A program for the ab initio investigation of crystalline solidsDovesi, Roberto ; Orlando, Roberto ; Erba, Alessandro ; Zicovich-Wilson, Claudio M. ; Civalleri, Bartolomeo ; Casassa, Silvia ; Maschio, Lorenzo ; Ferrabone, Matteo ; De La Pierre, Marco ; D'Arco, Philippe ; Noël, Yves ; Causà, Mauro ; Rérat, Michel ; Kirtman, BernardInternational journal of quantum chemistry, 2014-10, Vol.114 (19), p.1287-1317 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
10 |
Material Type: Artigo
|
![]() |
Self‐Assembled Carbon Superstructures Achieving Ultra‐Stable and Fast Proton‐Coupled Charge Storage KineticsSong, Ziyang ; Miao, Ling ; Ruhlmann, Laurent ; Lv, Yaokang ; Zhu, Dazhang ; Li, Liangchun ; Gan, Lihua ; Liu, MingxianAdvanced materials (Weinheim), 2021-12, Vol.33 (49), p.e2104148-n/a [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |