Open Access
Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis
Publication type: Journal Article
Publication date: 2017-12-21
scimago Q1
wos Q1
SJR: 3.286
CiteScore: 19.3
Impact factor: 10.4
ISSN: 23747943, 23747951
PubMed ID:
29392172
General Chemistry
General Chemical Engineering
Abstract
Recent progress in the synthesis and characterization of metal-organic frameworks (MOFs) has opened the door to an increasing number of possible catalytic applications. The great versatility of MOFs creates a large chemical space, whose thorough experimental examination becomes practically impossible. Therefore, computational modeling is a key tool to support, rationalize, and guide experimental efforts. In this outlook we survey the main methodologies employed to model MOFs for catalysis, and we review selected recent studies on the functionalization of their nodes. We pay special attention to catalytic applications involving natural gas conversion.
Found
Nothing found, try to update filter.
Found
Nothing found, try to update filter.
Top-30
Journals
|
2
4
6
8
10
12
14
|
|
|
Journal of Physical Chemistry C
13 publications, 7.56%
|
|
|
Journal of the American Chemical Society
12 publications, 6.98%
|
|
|
ACS Catalysis
11 publications, 6.4%
|
|
|
Coordination Chemistry Reviews
8 publications, 4.65%
|
|
|
ACS Central Science
6 publications, 3.49%
|
|
|
ACS applied materials & interfaces
5 publications, 2.91%
|
|
|
Chemical Reviews
5 publications, 2.91%
|
|
|
Chemical Science
5 publications, 2.91%
|
|
|
Chemistry of Materials
4 publications, 2.33%
|
|
|
New Journal of Chemistry
4 publications, 2.33%
|
|
|
RSC Advances
4 publications, 2.33%
|
|
|
Journal of Chemical Physics
3 publications, 1.74%
|
|
|
Journal of Chemical Theory and Computation
3 publications, 1.74%
|
|
|
Chemical Society Reviews
3 publications, 1.74%
|
|
|
Physical Chemistry Chemical Physics
3 publications, 1.74%
|
|
|
Molecules
2 publications, 1.16%
|
|
|
Nature Reviews Chemistry
2 publications, 1.16%
|
|
|
Journal of Colloid and Interface Science
2 publications, 1.16%
|
|
|
Israel Journal of Chemistry
2 publications, 1.16%
|
|
|
Journal of Computational Chemistry
2 publications, 1.16%
|
|
|
Angewandte Chemie - International Edition
2 publications, 1.16%
|
|
|
Angewandte Chemie
2 publications, 1.16%
|
|
|
ChemistrySelect
2 publications, 1.16%
|
|
|
Langmuir
2 publications, 1.16%
|
|
|
CrystEngComm
2 publications, 1.16%
|
|
|
Catalysis Science and Technology
2 publications, 1.16%
|
|
|
Chemical Physics Reviews
2 publications, 1.16%
|
|
|
Advanced Materials
2 publications, 1.16%
|
|
|
Dalton Transactions
2 publications, 1.16%
|
|
|
2
4
6
8
10
12
14
|
Publishers
|
10
20
30
40
50
60
70
|
|
|
American Chemical Society (ACS)
67 publications, 38.95%
|
|
|
Royal Society of Chemistry (RSC)
29 publications, 16.86%
|
|
|
Elsevier
26 publications, 15.12%
|
|
|
Wiley
21 publications, 12.21%
|
|
|
Springer Nature
8 publications, 4.65%
|
|
|
AIP Publishing
6 publications, 3.49%
|
|
|
MDPI
6 publications, 3.49%
|
|
|
Taylor & Francis
2 publications, 1.16%
|
|
|
CSIRO Publishing
1 publication, 0.58%
|
|
|
Brazilian Society of Chemical Engineering
1 publication, 0.58%
|
|
|
IntechOpen
1 publication, 0.58%
|
|
|
Hans Publishers
1 publication, 0.58%
|
|
|
Walter de Gruyter
1 publication, 0.58%
|
|
|
OAE Publishing Inc.
1 publication, 0.58%
|
|
|
10
20
30
40
50
60
70
|
- 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
172
Total citations:
172
Citations from 2024:
30
(17.44%)
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Bernales V. et al. Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis // ACS Central Science. 2017. Vol. 4. No. 1. pp. 5-19.
GOST all authors (up to 50)
Copy
Bernales V., Ortuño M. A., Truhlar D. G., Cramer C. S., Gagliardi L. Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis // ACS Central Science. 2017. Vol. 4. No. 1. pp. 5-19.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/acscentsci.7b00500
UR - https://doi.org/10.1021/acscentsci.7b00500
TI - Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis
T2 - ACS Central Science
AU - Bernales, Varinia
AU - Ortuño, Manuel A.
AU - Truhlar, D. G.
AU - Cramer, Christopher S.
AU - Gagliardi, Laura
PY - 2017
DA - 2017/12/21
PB - American Chemical Society (ACS)
SP - 5-19
IS - 1
VL - 4
PMID - 29392172
SN - 2374-7943
SN - 2374-7951
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{2017_Bernales,
author = {Varinia Bernales and Manuel A. Ortuño and D. G. Truhlar and Christopher S. Cramer and Laura Gagliardi},
title = {Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis},
journal = {ACS Central Science},
year = {2017},
volume = {4},
publisher = {American Chemical Society (ACS)},
month = {dec},
url = {https://doi.org/10.1021/acscentsci.7b00500},
number = {1},
pages = {5--19},
doi = {10.1021/acscentsci.7b00500}
}
Cite this
MLA
Copy
Bernales, Varinia, et al. “Computational Design of Functionalized Metal–Organic Framework Nodes for Catalysis.” ACS Central Science, vol. 4, no. 1, Dec. 2017, pp. 5-19. https://doi.org/10.1021/acscentsci.7b00500.