Literature DB >> 22404585

Relativistic effects in chemistry: more common than you thought.

Pekka Pyykkö1.   

Abstract

Relativistic effects can strongly influence the chemical and physical properties of heavy elements and their compounds. This influence has been noted in inorganic chemistry textbooks for a couple of decades. This review provides both traditional and new examples of these effects, including the special properties of gold, lead-acid and mercury batteries, the shapes of gold and thallium clusters, heavy-atom shifts in NMR, topological insulators, and certain specific heats.

Entities:  

Year:  2012        PMID： 22404585     DOI： 10.1146/annurev-physchem-032511-143755

Source DB:  PubMed          Journal:  Annu Rev Phys Chem        ISSN： 0066-426X            Impact factor:   12.703


  21 in total

1.  Density functional study of bare gold clusters: the ten-vertex neutral system.

Authors:  Menyhárt B Sárosi; Petronela M Petrar; R Bruce King
Journal:  J Mol Model       Date:  2013-08-22       Impact factor: 1.810

2.  Strong metal-metal Pauli repulsion leads to repulsive metallophilicity in closed-shell d8 and d10 organometallic complexes.

Authors:  Qingyun Wan; Jun Yang; Wai-Pong To; Chi-Ming Che
Journal:  Proc Natl Acad Sci U S A       Date:  2021-01-05       Impact factor: 11.205

3.  Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of Chalcogenidoplumbates(II or IV).

Authors:  Günther Thiele; Carsten Donsbach; Isabell Nußbruch; Stefanie Dehnen
Journal:  J Vis Exp       Date:  2016-12-29       Impact factor: 1.355

4.  A comparison of computational methodologies for the structural modelling of biologically relevant zinc complexes.

Authors:  Gökcen Savasci; Merlys Borges-Martínez; Raphael J F Berger; Christian Ochsenfeld; Raúl Mera-Adasme
Journal:  J Mol Model       Date:  2019-08-09       Impact factor: 1.810

Review 5.  Understanding Periodic and Non-periodic Chemistry in Periodic Tables.

Authors:  Changsu Cao; René E Vernon; W H Eugen Schwarz; Jun Li
Journal:  Front Chem       Date:  2021-01-06       Impact factor: 5.221

6.  Insights into the value of statistical models, solvent, and relativistic effects for investigating Re complexes of 2-(4'-aminophenyl)benzothiazole: a potential spectroscopic probe.

Authors:  Gustavo A Andolpho; Elaine F F da Cunha; Teodorico C Ramalho
Journal:  J Mol Model       Date:  2022-05-17       Impact factor: 1.810

7.  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

8.  Quantum chemical calculations of 31P NMR chemical shifts of P-donor ligands in platinum(II) complexes.

Authors:  Martin Sojka; Marek Nečas; Jaromir Toušek
Journal:  J Mol Model       Date:  2019-10-28       Impact factor: 1.810

9.  Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems.

Authors:  John A Keith; Valentin Vassilev-Galindo; Bingqing Cheng; Stefan Chmiela; Michael Gastegger; Klaus-Robert Müller; Alexandre Tkatchenko
Journal:  Chem Rev       Date:  2021-07-07       Impact factor: 60.622

10.  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
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