Calculations of magnetically induced current densities

theory and applications

Dage Sundholm, Heike Fliegl, Raphael J. F. Berger

Research output: Contribution to journalReview ArticleScientificpeer-review

Original languageEnglish
JournalWiley interdisciplinary reviews: Computational molecular science
Volume6
Issue number6
Pages (from-to)639-678
Number of pages40
ISSN1759-0876
DOIs
Publication statusPublished - Dec 2016
MoE publication typeA2 Review article in a scientific journal

Fields of Science

  • NMR CHEMICAL-SHIFTS
  • MOLECULAR CHARGE-DISTRIBUTIONS
  • HARTREE-FOCK CALCULATIONS
  • ELECTRONIC-STRUCTURE CALCULATIONS
  • INCLUDING ATOMIC ORBITALS
  • POTENTIAL-ENERGY SURFACE
  • COINAGE-METAL-CLUSTERS
  • SELF-CONSISTENT-FIELD
  • RING CURRENT MODEL
  • SPHERICAL AROMATICITY
  • 116 Chemical sciences

Cite this

@article{97a8544460604a03b170d0ddf99a6f97,
title = "Calculations of magnetically induced current densities: theory and applications",
keywords = "NMR CHEMICAL-SHIFTS, MOLECULAR CHARGE-DISTRIBUTIONS, HARTREE-FOCK CALCULATIONS, ELECTRONIC-STRUCTURE CALCULATIONS, INCLUDING ATOMIC ORBITALS, POTENTIAL-ENERGY SURFACE, COINAGE-METAL-CLUSTERS, SELF-CONSISTENT-FIELD, RING CURRENT MODEL, SPHERICAL AROMATICITY, 116 Chemical sciences",
author = "Dage Sundholm and Heike Fliegl and Berger, {Raphael J. F.}",
year = "2016",
month = "12",
doi = "10.1002/wcms.1270",
language = "English",
volume = "6",
pages = "639--678",
journal = "Wiley interdisciplinary reviews: Computational molecular science",
issn = "1759-0876",
publisher = "Wiley Subscription Services",
number = "6",

}

Calculations of magnetically induced current densities : theory and applications. / Sundholm, Dage; Fliegl, Heike; Berger, Raphael J. F.

In: Wiley interdisciplinary reviews: Computational molecular science, Vol. 6, No. 6, 12.2016, p. 639-678.

Research output: Contribution to journalReview ArticleScientificpeer-review

TY - JOUR

T1 - Calculations of magnetically induced current densities

T2 - theory and applications

AU - Sundholm, Dage

AU - Fliegl, Heike

AU - Berger, Raphael J. F.

PY - 2016/12

Y1 - 2016/12

KW - NMR CHEMICAL-SHIFTS

KW - MOLECULAR CHARGE-DISTRIBUTIONS

KW - HARTREE-FOCK CALCULATIONS

KW - ELECTRONIC-STRUCTURE CALCULATIONS

KW - INCLUDING ATOMIC ORBITALS

KW - POTENTIAL-ENERGY SURFACE

KW - COINAGE-METAL-CLUSTERS

KW - SELF-CONSISTENT-FIELD

KW - RING CURRENT MODEL

KW - SPHERICAL AROMATICITY

KW - 116 Chemical sciences

U2 - 10.1002/wcms.1270

DO - 10.1002/wcms.1270

M3 - Review Article

VL - 6

SP - 639

EP - 678

JO - Wiley interdisciplinary reviews: Computational molecular science

JF - Wiley interdisciplinary reviews: Computational molecular science

SN - 1759-0876

IS - 6

ER -