Reply to 'comment on "extending hirshfeld-I to bulk and periodic materials"'

Danny E. P. Vanpoucke; Isabel Van Driessche; Patrick Bultinck

doi:10.1002/jcc.23193

Reply to 'comment on "extending hirshfeld-I to bulk and periodic materials"'

Danny E. P. Vanpoucke^*, Isabel Van Driessche, Patrick Bultinck

^*Corresponding author for this work

Research output: Contribution to journal › Comment/Letter to the editor › Academic › peer-review

Original language	English
Pages (from-to)	422-427
Number of pages	6
Journal	Journal of Computational Chemistry
Volume	34
Issue number	5
DOIs	https://doi.org/10.1002/jcc.23193
Publication status	Published - 15 Feb 2013

Keywords

Hirshfeld-I
atoms in molecules
density functional theory
atomic charges
NaF
SrTiO3
MgO
La2Ce2O7
ELECTRONEGATIVITY EQUALIZATION METHOD
ATOMIC CHARGE-DENSITIES
NONPERIODIC MATERIALS
X-RAY
MGO
MOLECULE
MODELS
BADER
BAO
CAO

Access to Document

10.1002/jcc.23193

Cite this

Vanpoucke, D. E. P., Van Driessche, I., & Bultinck, P. (2013). Reply to 'comment on "extending hirshfeld-I to bulk and periodic materials"'. Journal of Computational Chemistry, 34(5), 422-427. https://doi.org/10.1002/jcc.23193

@article{365a66c7e2b147e3ab5a3309a20e714f,

title = "Reply to 'comment on {"}extending hirshfeld-I to bulk and periodic materials{"}'",

keywords = "Hirshfeld-I, atoms in molecules, density functional theory, atomic charges, NaF, SrTiO3, MgO, La2Ce2O7, ELECTRONEGATIVITY EQUALIZATION METHOD, ATOMIC CHARGE-DENSITIES, NONPERIODIC MATERIALS, X-RAY, MGO, MOLECULE, MODELS, BADER, BAO, CAO",

author = "Vanpoucke, {Danny E. P.} and {Van Driessche}, Isabel and Patrick Bultinck",

year = "2013",

month = feb,

day = "15",

doi = "10.1002/jcc.23193",

language = "English",

volume = "34",

pages = "422--427",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

publisher = "Wiley-Blackwell",

number = "5",

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TY - JOUR

T1 - Reply to 'comment on "extending hirshfeld-I to bulk and periodic materials"'

AU - Vanpoucke, Danny E. P.

AU - Van Driessche, Isabel

AU - Bultinck, Patrick

PY - 2013/2/15

Y1 - 2013/2/15

KW - Hirshfeld-I

KW - atoms in molecules

KW - density functional theory

KW - atomic charges

KW - NaF

KW - SrTiO3

KW - MgO

KW - La2Ce2O7

KW - ELECTRONEGATIVITY EQUALIZATION METHOD

KW - ATOMIC CHARGE-DENSITIES

KW - NONPERIODIC MATERIALS

KW - X-RAY

KW - MGO

KW - MOLECULE

KW - MODELS

KW - BADER

KW - BAO

KW - CAO

U2 - 10.1002/jcc.23193

DO - 10.1002/jcc.23193

M3 - Comment/Letter to the editor

VL - 34

SP - 422

EP - 427

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

SN - 0192-8651

IS - 5

ER -