Search results for "Lanthanide"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
69	Alfredo Mayall Simas, Ricardo Oliveira Freire, Gerd Bruno Rocha	Cerium (III) Complexes Modeling with Sparkle/PM3.	International Conference on Computational Science (2)	2007	DBLP DOI BibTeX RDF	Cerium, Sparkle Model, PM3, Lanthanide
57	Magali Duvail	Etude des trications lanthanide en solution aqueuse par dynamique moléculaire. (Study of lanthanide trications in aqueous solution by molecular dynamics simulations).		2007	RDF
28	Edoardo Di Napoli, Xinzhe Wu, Thomas Bornhake, Piotr M. Kowalski	Computing formation enthalpies through an explainable machine learning method: the case of Lanthanide Orthophosphates solid solutions.	CoRR	2023	DBLP DOI BibTeX RDF
28	H. El Karout, A. Andrushchak, Z. Sofiani, Youssef El Kouari, Bouchta Sahraoui	Selected Lanthanide Complexes for Nonlinear Optical Applications.	ICTON	2023	DBLP DOI BibTeX RDF
28	Lu Cai, Fei Xu, Fidelma Dilemma, Daniel J. Murray, Cynthia A. Adkins, Larry K. Aagesen Jr., Min Xian, Luca Caprriot, Tiankai Yao	Understanding Fission Gas Bubble Distribution, Lanthanide Transportation, and Thermal Conductivity Degradation in Neutron-irradiated α-U Using Machine Learning.	CoRR	2021	DBLP BibTeX RDF
28	Miho Hatanaka, Tomonari Wakabayashi	Theoretical study of lanthanide-based in vivo luminescent probes for detecting hydrogen peroxide.	J. Comput. Chem.	2019	DBLP DOI BibTeX RDF
28	Germán E. Gomez, María dos Santos Afonso, Héctor A. Baldoni, Federico Roncaroli, Galo J. A. A. Soler-Illia	Luminescent Lanthanide Metal Organic Frameworks as Chemosensing Platforms towards Agrochemicals and Cations.	Sensors	2019	DBLP DOI BibTeX RDF
28	Simone Calvello, Matteo Piccardo, Shashank Vittal Rao, Alessandro Soncini	CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes.	J. Comput. Chem.	2018	DBLP DOI BibTeX RDF
28	Seo Young Im, Da Hyeon Go, Jeong Gon Ryu, Young Sic Kim	New Narrow-Band Luminescence Using Lanthanide Coordination Compounds for Light-Emitting Diodes.	IEICE Trans. Electron.	2017	DBLP DOI BibTeX RDF
28	Bolong Huang	4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.	J. Comput. Chem.	2016	DBLP DOI BibTeX RDF
28	Subhankar Singha, Kyo Han Ahn	Detection of Ciprofloxacin in Urine through Sensitized Lanthanide Luminescence.	Sensors	2016	DBLP DOI BibTeX RDF
28	Lukasz Sojka, David Furniss, Zhuoqi Tang, H. Sakr, Emma Barney, Trevor M. Benson, Angela B. Seddon, Slawomir Sujecki, K. Scholle, Samir Lamrini, P. Fuhrberg	Numerical modelling of lanthanide-ion doped fibre lasers operating within mid-infrared wavelength region.	ICTON	2016	DBLP DOI BibTeX RDF
28	Izabela Czopek, Joanna Pisarska, Tomasz Goryczka, Wojciech A. Pisarski	PbWO4 micro-/nanocrystals in transparent glass-ceramics: Synthesis, structure-property relationship and lanthanide doping.	ICTON	2016	DBLP DOI BibTeX RDF
28	Qianmin Ma, Qianming Wang	Facile synthesis of lanthanide vanadates and their luminescent properties.	Displays	2015	DBLP DOI BibTeX RDF
28	José Diogo L. Dutra, Thiago D. Bispo, Ricardo Oliveira Freire	LUMPAC lanthanide luminescence software: Efficient and user friendly.	J. Comput. Chem.	2014	DBLP DOI BibTeX RDF
28	Yuhui Zheng, Yanfen Zhang, Jieshan Wu, Haijie Zhang, Jieqiong Liu, Liwen Yao, Chuqin Yang, Jintai Lin, Qianming Wang	Design and characterization of new lanthanide fluorides and their optical properties.	Displays	2014	DBLP DOI BibTeX RDF
28	A. Oladeji, H. Sakr, David Furniss, Zhuoqi Tang, Andy J. Phillips, Trevor M. Benson, Angela B. Seddon, Slawomir Sujecki	Photoluminescence modelling of lanthanide doped, low phonon energy glasses.	ICTON	2014	DBLP DOI BibTeX RDF
28	Kazuki Nakamura, Kenji Kanazawa, Norihisa Kobayashi	Electrochemically-switchable emission and absorption by using luminescent Lanthanide(III) complex and electrochromic molecule toward novel display device with dual emissive and reflective mode.	Displays	2013	DBLP DOI BibTeX RDF
28	Dina V. Hingorani, Sandra I. Gonzalez, Jessica F. Li, Mark D. Pagel	Sensing Lanthanide Metal Content in Biological Tissues with Magnetic Resonance Spectroscopy.	Sensors	2013	DBLP DOI BibTeX RDF
28	Athanassios C. Tsipis, Alexandros V. Stalikas	Structural, electronic, and magnetoresponsive properties of triangular lanthanide clusters and their free-standing nitrides.	J. Comput. Chem.	2011	DBLP DOI BibTeX RDF
28	Danilo A. Rodrigues, Nivan B. da Costa Jr., Ricardo Oliveira Freire	Would the Pseudocoordination Centre Method Be Appropriate To Describe the Geometries of Lanthanide Complexes?	J. Chem. Inf. Model.	2011	DBLP DOI BibTeX RDF
28	Karen M. Orcutt, W. Scott Jones, Andrea McDonald, David Schrock, Karl J. Wallace	A Lanthanide-Based Chemosensor for Bioavailable Fe3+ Using a Fluorescent Siderophore: An Assay Displacement Approach.	Sensors	2010	DBLP DOI BibTeX RDF
28	Masahiro Sekiya, Takeshi Noro, Eisaku Miyoshi, You Osanai, Toshikatsu Koga	Relativistic correlating basis sets for lanthanide atoms from Ce to Lu.	J. Comput. Chem.	2006	DBLP DOI BibTeX RDF
28	Ricardo Oliveira Freire, Gerd Bruno Rocha, Alfredo Mayall Simas	Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III).	J. Comput. Chem.	2005	DBLP DOI BibTeX RDF
28	Henry G. Giesber, John Ballato, William T. Pennington, Joseph W. Kolis	Synthesis and characterization of optically nonlinear and light emitting lanthanide borates.	Inf. Sci.	2003	DBLP DOI BibTeX RDF
28	Valentina Vetere, Pascale Maldivi, Carlo Adamo	Comparative studies of quasi-relativistic density functional methods for the description of lanthanide and actinide complexes.	J. Comput. Chem.	2003	DBLP DOI BibTeX RDF
28	Henry G. Giesber, John Ballato, William T. Pennington, Joseph W. Kolis	Synthesis and Characterization of Optically Nonlinear and Light Emitting Lanthanide Borates.	JCIS	2002	DBLP BibTeX RDF
28	Michael G. Razumov, Vladimir L. Melnikov, Igor V. Pletnev	Molecular mechanics calculations of -diketonate, aqua, and aqua-diketonate complexes of lanthanide ions using Gillespie-Kepert model.	J. Comput. Chem.	2001	DBLP DOI BibTeX RDF
28	Carlo Adamo, Vincenzo Barone	Structures and properties of lanthanide and actinide complexes by a new density functional approach: Lanthanum, gadolinium, lutetium, and thorium halides as case studies.	J. Comput. Chem.	2000	DBLP DOI BibTeX RDF
28	Thomas R. Cundari, L. C. Saunders	Modeling Lanthanide Coordination Complexes. Comparison of Semiempirical and Classical Methods.	J. Chem. Inf. Comput. Sci.	1998	DBLP DOI BibTeX RDF
28	Brian Aull	The impact of ion-host interactions on the 5d-to-4f spectra of lanthanide rare earth ions.		1985	RDF