Open Access
Consistent van der Waals Radii for the Whole Main Group
Publication type: Journal Article
Publication date: 2009-04-21
scimago Q2
wos Q2
SJR: 0.634
CiteScore: 4.8
Impact factor: 2.8
ISSN: 10895639, 15205215
PubMed ID:
19382751
Physical and Theoretical Chemistry
Abstract
Atomic radii are not precisely defined but are nevertheless widely used parameters in modeling and understanding molecular structure and interactions. The van der Waals radii determined by Bondi from molecular crystals and data for gases are the most widely used values, but Bondi recommended radius values for only 28 of the 44 main-group elements in the periodic table. In the present Article, we present atomic radii for the other 16; these new radii were determined in a way designed to be compatible with Bondi's scale. The method chosen is a set of two-parameter correlations of Bondi's radii with repulsive-wall distances calculated by relativistic coupled-cluster electronic structure calculations. The newly determined radii (in A) are Be, 1.53; B, 1.92; Al, 1.84; Ca, 2.31; Ge, 2.11; Rb, 3.03; Sr, 2.49; Sb, 2.06; Cs, 3.43; Ba, 2.68; Bi, 2.07; Po, 1.97; At, 2.02; Rn, 2.20; Fr, 3.48; and Ra, 2.83.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
10
20
30
40
50
60
70
80
90
100
|
|
|
Inorganic Chemistry
96 publications, 5.83%
|
|
|
Chemistry - A European Journal
93 publications, 5.65%
|
|
|
Organometallics
67 publications, 4.07%
|
|
|
Dalton Transactions
67 publications, 4.07%
|
|
|
Physical Chemistry Chemical Physics
60 publications, 3.65%
|
|
|
Angewandte Chemie - International Edition
56 publications, 3.4%
|
|
|
Angewandte Chemie
56 publications, 3.4%
|
|
|
Journal of the American Chemical Society
51 publications, 3.1%
|
|
|
European Journal of Inorganic Chemistry
49 publications, 2.98%
|
|
|
Chemical Science
39 publications, 2.37%
|
|
|
Chemical Communications
30 publications, 1.82%
|
|
|
Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
26 publications, 1.58%
|
|
|
Molecules
25 publications, 1.52%
|
|
|
Journal of Chemical Physics
25 publications, 1.52%
|
|
|
Journal of Physical Chemistry C
24 publications, 1.46%
|
|
|
Zeitschrift fur Anorganische und Allgemeine Chemie
24 publications, 1.46%
|
|
|
Journal of Physical Chemistry A
24 publications, 1.46%
|
|
|
Polyhedron
20 publications, 1.22%
|
|
|
CrystEngComm
20 publications, 1.22%
|
|
|
Journal of Organic Chemistry
15 publications, 0.91%
|
|
|
Crystal Growth and Design
15 publications, 0.91%
|
|
|
Journal of Chemical Theory and Computation
14 publications, 0.85%
|
|
|
Journal of Molecular Structure
13 publications, 0.79%
|
|
|
New Journal of Chemistry
13 publications, 0.79%
|
|
|
Coordination Chemistry Reviews
12 publications, 0.73%
|
|
|
Journal of Structural Chemistry
12 publications, 0.73%
|
|
|
Russian Journal of Inorganic Chemistry
12 publications, 0.73%
|
|
|
Russian Journal of General Chemistry
12 publications, 0.73%
|
|
|
Journal of Organometallic Chemistry
11 publications, 0.67%
|
|
|
10
20
30
40
50
60
70
80
90
100
|
Publishers
|
50
100
150
200
250
300
350
400
450
|
|
|
American Chemical Society (ACS)
405 publications, 24.61%
|
|
|
Wiley
382 publications, 23.21%
|
|
|
Royal Society of Chemistry (RSC)
270 publications, 16.4%
|
|
|
Elsevier
191 publications, 11.6%
|
|
|
Pleiades Publishing
80 publications, 4.86%
|
|
|
Springer Nature
79 publications, 4.8%
|
|
|
MDPI
62 publications, 3.77%
|
|
|
AIP Publishing
38 publications, 2.31%
|
|
|
International Union of Crystallography (IUCr)
19 publications, 1.15%
|
|
|
American Physical Society (APS)
17 publications, 1.03%
|
|
|
Taylor & Francis
14 publications, 0.85%
|
|
|
IOP Publishing
13 publications, 0.79%
|
|
|
Oxford University Press
8 publications, 0.49%
|
|
|
Cold Spring Harbor Laboratory
8 publications, 0.49%
|
|
|
The Russian Academy of Sciences
6 publications, 0.36%
|
|
|
Canadian Science Publishing
5 publications, 0.3%
|
|
|
Walter de Gruyter
5 publications, 0.3%
|
|
|
Institute of Electrical and Electronics Engineers (IEEE)
4 publications, 0.24%
|
|
|
American Association for the Advancement of Science (AAAS)
4 publications, 0.24%
|
|
|
OOO Zhurnal "Mendeleevskie Soobshcheniya"
3 publications, 0.18%
|
|
|
Beilstein-Institut
2 publications, 0.12%
|
|
|
The Society of Synthetic Organic Chemistry, Japan
2 publications, 0.12%
|
|
|
Public Library of Science (PLoS)
2 publications, 0.12%
|
|
|
The Japan Institute of Heterocyclic Chemistry
2 publications, 0.12%
|
|
|
Korean Society of Industrial Engineering Chemistry
2 publications, 0.12%
|
|
|
CSIRO Publishing
1 publication, 0.06%
|
|
|
F1000 Research
1 publication, 0.06%
|
|
|
Japan Society of Mechanical Engineers
1 publication, 0.06%
|
|
|
The Electrochemical Society
1 publication, 0.06%
|
|
|
50
100
150
200
250
300
350
400
450
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.
Are you a researcher?
Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
1.6k
Total citations:
1648
Citations from 2024:
397
(24%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Mantina M. et al. Consistent van der Waals Radii for the Whole Main Group // Journal of Physical Chemistry A. 2009. Vol. 113. No. 19. pp. 5806-5812.
GOST all authors (up to 50)
Copy
Mantina M., Chamberlin A. C., Valero R., Cramer C. S., Truhlar D. G. Consistent van der Waals Radii for the Whole Main Group // Journal of Physical Chemistry A. 2009. Vol. 113. No. 19. pp. 5806-5812.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/jp8111556
UR - https://doi.org/10.1021/jp8111556
TI - Consistent van der Waals Radii for the Whole Main Group
T2 - Journal of Physical Chemistry A
AU - Mantina, Manjeera
AU - Chamberlin, Adam C
AU - Valero, Rosendo
AU - Cramer, Christopher S.
AU - Truhlar, D. G.
PY - 2009
DA - 2009/04/21
PB - American Chemical Society (ACS)
SP - 5806-5812
IS - 19
VL - 113
PMID - 19382751
SN - 1089-5639
SN - 1520-5215
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2009_Mantina,
author = {Manjeera Mantina and Adam C Chamberlin and Rosendo Valero and Christopher S. Cramer and D. G. Truhlar},
title = {Consistent van der Waals Radii for the Whole Main Group},
journal = {Journal of Physical Chemistry A},
year = {2009},
volume = {113},
publisher = {American Chemical Society (ACS)},
month = {apr},
url = {https://doi.org/10.1021/jp8111556},
number = {19},
pages = {5806--5812},
doi = {10.1021/jp8111556}
}
Cite this
MLA
Copy
Mantina, Manjeera, et al. “Consistent van der Waals Radii for the Whole Main Group.” Journal of Physical Chemistry A, vol. 113, no. 19, Apr. 2009, pp. 5806-5812. https://doi.org/10.1021/jp8111556.