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Journal of computational chemistry (source)
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journal article EST
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journal article ENG
A DFT study of an organocatalytic enantioselective Mannich reaction under the sway of noncovalent interactions
Metsala, Andrus
;
Kriis, Kadri
;
Kanger, Tõnis
Journal of computational chemistry
2025
/
art. e70159
https://doi.org/10.1002/jcc.70159
journal article EST
/
journal article ENG
2
journal article
Improved efficiency of focal point conformational analysis with truncated correlation consistent basis sets
Kahn, Kalju
;
Kahn, Iiris
Journal of computational chemistry
2008
/
6, p. 900-911
https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.20848
journal article
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84
1.
computational chemistry
2.
C. Computational modelling
3.
CFD (computational fluid dynamics) software
4.
computational approach
5.
computational biology
6.
computational biology and bioinformatics
7.
computational biophysics
8.
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9.
computational complexity
10.
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11.
computational design method
12.
computational design methods
13.
Computational effect
14.
Computational effects
15.
computational efficiency
16.
computational experiment
17.
computational fluid dynamic
18.
computational fluid dynamics
19.
computational fluid dynamics (CFD)
20.
Computational Fluid Dynamics (CFD) analysis
21.
computational foundations for additive manufacturing
22.
computational intelligence
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computational linguistics
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computational mechanics and design
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computational methods
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computational modeling
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computational models
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computational neuroscience
30.
computational optimization
31.
computational pipelines
32.
computational social science
33.
computational techniques
34.
computational thinking
35.
data-based computational psychiatry
36.
materials computational analysis
37.
(computational fluid dynamics) CFD analysis
38.
analytical chemistry
39.
analytical chemistry applications
40.
atmospheric chemistry
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42.
biophysical chemistry
43.
carbonate chemistry
44.
chemistry
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chemistry and philosophy of science
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chemistry concepts
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chemistry teaching
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dual character of chemistry
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dynamic covalent chemistry
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environmental analytical chemistry
53.
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54.
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55.
fjord chemistry
56.
flotation and surface chemistry processes
57.
flow chemistry
58.
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59.
green chemistry
60.
green chemistry metrics
61.
host-guest chemistry
62.
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63.
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64.
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65.
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66.
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67.
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68.
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69.
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70.
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72.
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78.
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79.
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80.
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