Literature DB >> 21913696

Relativistic pseudopotentials: their development and scope of applications.

Michael Dolg1, Xiaoyan Cao.   

Abstract

Year:  2011        PMID： 21913696     DOI： 10.1021/cr2001383

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  12 in total

1.  Shape and energy consistent pseudopotentials for correlated electron systems.

Authors:  J R Trail; R J Needs
Journal:  J Chem Phys       Date:  2017-05-28       Impact factor: 3.488

2.  Insights into the structure-activity relationships of chiral 1,2-diaminophenylalkane platinum(II) anticancer derivatives.

Authors:  Gilles Berger; Luca Fusaro; Michel Luhmer; Joanna Czapla-Masztafiak; Ewelina Lipiec; Jakub Szlachetko; Yves Kayser; Daniel L A Fernandes; Jacinto Sá; François Dufrasne; Sophie Bombard
Journal:  J Biol Inorg Chem       Date:  2015-05-16       Impact factor: 3.358

3.  TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations.

Authors:  Sree Ganesh Balasubramani; Guo P Chen; Sonia Coriani; Michael Diedenhofen; Marius S Frank; Yannick J Franzke; Filipp Furche; Robin Grotjahn; Michael E Harding; Christof Hättig; Arnim Hellweg; Benjamin Helmich-Paris; Christof Holzer; Uwe Huniar; Martin Kaupp; Alireza Marefat Khah; Sarah Karbalaei Khani; Thomas Müller; Fabian Mack; Brian D Nguyen; Shane M Parker; Eva Perlt; Dmitrij Rappoport; Kevin Reiter; Saswata Roy; Matthias Rückert; Gunnar Schmitz; Marek Sierka; Enrico Tapavicza; David P Tew; Christoph van Wüllen; Vamsee K Voora; Florian Weigend; Artur Wodyński; Jason M Yu
Journal:  J Chem Phys       Date:  2020-05-14       Impact factor: 3.488

4.  Excited-State Dynamics of Crossing-Controlled Energy Transfer in Europium Complexes.

Authors:  Liangliang Wu; Yu Fang; Wanlong Zuo; Juanjuan Wang; Ju Wang; Shufeng Wang; Zhifeng Cui; Weihai Fang; Hao-Ling Sun; Yunliang Li; Xuebo Chen
Journal:  JACS Au       Date:  2022-03-16

5.  Octacarbonyl Ion Complexes of Actinides [An(CO)8 ]+/- (An=Th, U) and the Role of f Orbitals in Metal-Ligand Bonding.

Authors:  Chaoxian Chi; Sudip Pan; Jiaye Jin; Luyan Meng; Mingbiao Luo; Lili Zhao; Mingfei Zhou; Gernot Frenking
Journal:  Chemistry       Date:  2019-08-23       Impact factor: 5.236

Review 6.  Intermediate Valence States in Lanthanide Compounds.

Authors:  Maxime Tricoire; Nolwenn Mahieu; Thomas Simler; Grégory Nocton
Journal:  Chemistry       Date:  2021-02-25       Impact factor: 5.236

7.  A Spectroscopic Validation of the Improved Lennard-Jones Model.

Authors:  Rhuiago Mendes de Oliveira; Luiz Guilherme Machado de Macedo; Thiago Ferreira da Cunha; Fernando Pirani; Ricardo Gargano
Journal:  Molecules       Date:  2021-06-26       Impact factor: 4.411

8.  Semiempirical quantum chemistry model for the lanthanides: RM1 (Recife Model 1) parameters for dysprosium, holmium and erbium.

Authors:  Manoel A M Filho; José Diogo L Dutra; Gerd B Rocha; Alfredo M Simas; Ricardo O Freire
Journal:  PLoS One       Date:  2014-01-31       Impact factor: 3.240

9.  Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core-Valence Correlation, and F12 Alternatives.

Authors:  Emmanouil Semidalas; Jan M L Martin
Journal:  J Chem Theory Comput       Date:  2020-11-17       Impact factor: 6.006

10.  The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes.

Authors:  Emmanouil Semidalas; Jan M L Martin
Journal:  J Chem Theory Comput       Date:  2022-01-19       Impact factor: 6.006
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