Search Result "dirac-exact relativistic methods"

Exploring Bonding in Heavy Atom Chemistry with Dirac-Exact Methods

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 220-234
Author(s): Wenli Zou,Michael Filatov,Dieter Cremer

Relativistic Calculation of Hyperfine Parameters of Mercury Compounds

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 284-290
Author(s): Michael Filatov,Wenli Zou,Dieter Cremer

Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 213-219
Author(s): Asmus O. Dohn,Klaus B. Moller,Stephan P. A. Sauer

Applications of Density Functional Theory (DFT) to Investigate the Structural, Spectroscopic and Magnetic Properties of Lanthanide(III) Complexes

Journal: Current Inorganic Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 91-116
Author(s): Carlos Platas-Iglesias, Adrian Roca-Sabio, Martin Regueiro-Figueroa, David Esteban-Gomez, Andres de Blas, Teresa Rodriguez-Blas

Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions

Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/97898151790331240700005

Vortices in Atomic Processes

Ebook: Dynamical Processes In Atomic And Molecular Physics
Volume: 1 Year: 2012
Author(s): Joseph H. Macek
Doi: 10.2174/978160805245511201010003

On the Autonomous Existence of Chemical Entities

Journal: Current Physical Chemistry
Volume: 1 Issue: 1 Year: 2011 Page: 69-75
Author(s): Olimpia Lombardi, Martin Labarca

Graphene Nanoparticles: Technological Concepts and Future Applications

Ebook: The 2-Dimensional World of Graphene
Volume: 1 Year: 2024
Author(s):
Doi: 10.2174/9789815238938124010008

Effects of Common Functional Groups on the Elastic Properties of Graphene Nanoribbons

Journal: Current Nanoscience
Volume: 10 Issue: 4 Year: 2014 Page: 573-581
Author(s): Xu Guo,Jianhui Yuan,Jiangfan Li

Newton-Eulerian Axiomatic: The Notion of State

Ebook: Classical Mechanics and Quantum Mechanics: An Historic-Axiomatic Approach
Volume: 1 Year: 2019
Author(s): Peter Enders
Doi: 10.2174/9781681084497119010004

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