original ) (raw )Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity
W-H-Eugen Schwarz
Journal of computational chemistry, 2015
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Theoretical investigation of mixed-ligand lanthanocene complexes, ( ¿ 5 -C 5 H 5 ) 2 LnX · OC 4 H 8 (Ln=La, Gd, Lu; X=F, Cl, Br, I)
Parasuraman Selvam
Inorganic Chemistry Communications, 2003
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Molecular structure of diatomic lanthanide compounds
Wenjian Liu
Science in China Series B, 2002
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Theoretical approach of complexes containing lanthanide linked by bridges
nadia ouddai
Journal of chemical and pharmaceutical research, 2015
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Covalent Bonding and the Trans Influence in Lanthanide Compounds
Jonathan Melman
Inorganic Chemistry, 2010
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How do phosphoramides compete with phosphine oxides in lanthanide complexation? Structural, electronic and energy aspects at ab initio and DFT levels
Hamid Mahzouni , Khodayar Gholivand
Theoretical Chemistry Accounts, 2010
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NMR studies of hetero-ligand complexes of the lanthanides. Quantitative analysis of lanthanide-induced shifts
S. Babailov
Journal of Structural Chemistry, 1990
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Topological approach in the structural and bonding characterization of lanthanide trihalide molecules
Bernard Silvi
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 2000
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CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes
Alessandro Soncini
Journal of Computational Chemistry, 2017
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Coordination chemistry of lanthanides with emphasis on derivatives with Ln-O-C bonds
Pramesh Kapoor
1980
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Modeling Lanthanide Coordination Complexes. Comparison of Semiempirical and Classical Methods
leah tonkin
Journal of Chemical Information and Modeling, 1998
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Conformational Characterization of Lanthanide(III)−DOTA Complexes by ab Initio Investigation in Vacuo and in Aqueous Solution
Demetrio Pitea
Journal of the American Chemical Society, 2002
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Theoretical investigation of mixed-ligand lanthanocene complexes, (η5-C5H5)2LnX·OC4H8 (Ln=La, Gd, Lu; X=F, Cl, Br, I)
Parasuraman Selvam
Inorganic Chemistry Communications, 2003
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Ab Initio Study of Metal−Ring Bonding in the Bis(η6-benzene)lanthanide and -actinide Complexes M(C6H6)2 (M = La, Ce, Nd, Gd, Tb, Lu, Th, U)
Gongyi Hong
Journal of the American Chemical Society, 1999
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The Lanthanide Contraction Revisited
Allen g. Oliver
Journal of the American Chemical Society, 2007
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Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes
Lothar Helm
Chemical Physics Letters, 2004
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Theoretical study of electronic and geometric structures of a series of lanthanide trihalides LnX(3) (Ln = La-Lu ; X = Cl, F)
Takashi Tsuchiya
Journal of Molecular Structure-Theochem, 1999
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Calculated Properties of Lanthanocene Anions and the Unusual Electronic Structure of Their Neutral Counterparts
Wenjian Liu
Inorganic Chemistry, 1998
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Mixed-ligand complexes of trivalent lanthanide ions with .beta.-diketones and heterocyclic amines
Naseer Ahmad
Inorganic Chemistry, 1982
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Comparison of prominent methods for computational studies of lanthanoid cation complexation
Kaido Tämm
Proceedings of the Estonian Academy of Sciences, 2018
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A theoretical study on the coordination behavior of some phosphoryl, carbonyl and sulfoxide derivatives in lanthanide complexation
mahdieh hosseini
Journal of Molecular Modeling, 2018
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DFT Studies on Interaction between Lanthanum and Hydroxyamide
TARUN KUNDU
IOP Conference Series: Materials Science and Engineering, 2018
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NMR investigation of different-ligand complexes of lanthanides. Lanthanide-induced increase in rate of spin-lattice relaxation
S. Babailov
Journal of Structural Chemistry, 1989
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RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium
ALFREDO MAYALL SIMAS
PloS one, 2015
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Lanthanide complexes with pyridinecarboxylic acids – Spectroscopic and thermal studies
Agnieszka Wilczewska
Polyhedron, 2018
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X-ray Diffraction and 1 H NMR in Solution: Structural Determination of Lanthanide Complexes of a Py 2 N 6 Ac 4 Ligand
Carlos Geraldes
Inorganic Chemistry, 2002
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Lanthanide Diatomics and Lanthanide Contractions
W-H-Eugen Schwarz
The Journal of Physical Chemistry, 1995
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CERES: An ab initio code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes
Alessandro Soncini
Journal of computational chemistry, 2017
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Interaction of M3+ Lanthanide Cations with Diamide Ligands and Their Thia Analogues: A Quantum Mechanics Study of Monodentate vs Bidentate Binding, Counterion Effects, and Ligand Protonation
Bernard Coupez
The Journal of Physical Chemistry A, 2002
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Synthesis and spectroscopic analysis of an extended series of hetero dinuclear complexes containing two different lanthanides in 1:1 stoichiometry
Mir Irfanullah , Khalid Iftikhar
Inorganica Chimica Acta, 2013
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Importance of Axial Symmetry in Elucidating Lanthanide–Transition Metal Interactions
Hogni Weihe
Inorganic Chemistry, 2019
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Synthesis and Characterization of Template Lanthanide Complexes
Preeti Sahai
1996
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Semiempirical Quantum Chemistry Model for the Lanthanides: RM1 (Recife Model 1) Parameters for Dysprosium, Holmium and Erbium
Manoel Filho
PLoS ONE, 2014
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Structures and Properties of the Products of the Reaction of Lanthanide Atoms with H2O: Dominance of the +II Oxidation State
Zongtang Fang
The journal of physical chemistry. A, 2016
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QM/MM modeling of the structures and properties of the β-diketonate-based lanthanide complexes
Anastasia Bochenkova
International Journal of Quantum Chemistry, 2005
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