Literature DB >> 22213768

Calculation of dispersion energies.

John F Dobson1, Tim Gould.   

Abstract

We summarize the theory of van der Waals (dispersion) forces, with emphasis on recent microscopic approaches that permit the prediction of forces between solids and nanostructures right down to intimate contact and binding. Some connections are pointed out between microscopic theory and macroscopic Lifshitz theory.

Entities:  

Year:  2012        PMID: 22213768     DOI: 10.1088/0953-8984/24/7/073201

Source DB:  PubMed          Journal:  J Phys Condens Matter        ISSN: 0953-8984            Impact factor:   2.333


  12 in total

1.  Quantum chemical investigation on the role of Li adsorbed on anatase (101) surface nano-materials on the storage of molecular hydrogen.

Authors:  V Srinivasadesikan; P Raghunath; M C Lin
Journal:  J Mol Model       Date:  2015-05-13       Impact factor: 1.810

2.  Dispersion Interactions in Exciton-Localized States. Theory and Applications to π-π* and n-π* Excited States.

Authors:  Mohammad Reza Jangrouei; Agnieszka Krzemińska; Michał Hapka; Ewa Pastorczak; Katarzyna Pernal
Journal:  J Chem Theory Comput       Date:  2022-05-19       Impact factor: 6.578

3.  Theoretical study of methyl group transfer assisted by proton transfer reaction in the N-acylated imidates.

Authors:  Rezika Larabi; Soraya Abtouche; Meziane Brahimi
Journal:  J Mol Model       Date:  2014-05-31       Impact factor: 1.810

4.  Scaling laws for van der Waals interactions in nanostructured materials.

Authors:  Vivekanand V Gobre; Alexandre Tkatchenko
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

5.  Non-additivity of molecule-surface van der Waals potentials from force measurements.

Authors:  Christian Wagner; Norman Fournier; Victor G Ruiz; Chen Li; Klaus Müllen; Michael Rohlfing; Alexandre Tkatchenko; Ruslan Temirov; F Stefan Tautz
Journal:  Nat Commun       Date:  2014-11-26       Impact factor: 14.919

6.  van der Waals dispersion interactions in molecular materials: beyond pairwise additivity.

Authors:  Anthony M Reilly; Alexandre Tkatchenko
Journal:  Chem Sci       Date:  2015-03-30       Impact factor: 9.825

7.  Are dispersion corrections accurate outside equilibrium? A case study on benzene.

Authors:  Tim Gould; Erin R Johnson; Sherif Abdulkader Tawfik
Journal:  Beilstein J Org Chem       Date:  2018-05-23       Impact factor: 2.883

8.  Faraday cage screening reveals intrinsic aspects of the van der Waals attraction.

Authors:  Musen Li; Jeffrey R Reimers; John F Dobson; Tim Gould
Journal:  Proc Natl Acad Sci U S A       Date:  2018-10-16       Impact factor: 11.205

9.  A Variational Approach to London Dispersion Interactions without Density Distortion.

Authors:  Derk P Kooi; Paola Gori-Giorgi
Journal:  J Phys Chem Lett       Date:  2019-03-20       Impact factor: 6.475

10.  Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions.

Authors:  Martin A Blood-Forsythe; Thomas Markovich; Robert A DiStasio; Roberto Car; Alán Aspuru-Guzik
Journal:  Chem Sci       Date:  2015-10-27       Impact factor: 9.825

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