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1
journal article EST
/
journal article ENG
Reaction path scans : Aza-Michael reactions of isatin imines
Metsala, Andrus
;
Žari, Sergei
;
Kanger, Tõnis
Computational and theoretical chemistry
2017
/
p. 30-40 : ill
https://doi.org/10.1016/j.comptc.2017.07.014
Journal metrics at Scopus
Article at Scopus
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Article at WOS
journal article EST
/
journal article ENG
2
journal article EST
/
journal article ENG
Shortfall of B3LYP in reproducing NMR JCH couplings in some isomeric epoxy structures with strong stereoelectronic effects : a benchmark study on DFT functionals
Adamson, Jasper
;
Nazarski, Ryszard B.
;
Jarvet, Jüri
;
Pehk, Tõnis
;
Aav, Riina
ChemPhysChem
2018
/
p. 631-642 : ill
https://doi.org/10.1002/cphc.201701125
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journal article EST
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journal article ENG
Number of records 2, displaying
1 - 2
keyword
431
1.
conformational analysis
2.
conformational design
3.
conformational rigidity
4.
conformational study
5.
conformational switching
6.
ABC analysis
7.
AC analysis
8.
accuracy analysis
9.
acoustic analysis
10.
acoustic signal analysis
11.
activation analysis
12.
algebraic analysis
13.
amino acids analysis
14.
analysis
15.
analysis costs
16.
analysis methods
17.
analysis model
18.
analysis patterns
19.
analysis software
20.
analysis structuring
21.
analytical analysis
22.
analytical flow network analysis
23.
application analysis
24.
audio signal analysis
25.
autocorrelation analysis
26.
bandwidth analysis
27.
banking analysis
28.
barrier analysis
29.
benchmark analysis
30.
bibliometric analysis
31.
big data analysis
32.
big graph analysis
33.
Biochemical analysis
34.
bioelectrical impedance analysis
35.
bioinformatic analysis
36.
biomass composition analysis
37.
break-even analysis
38.
Buckling analysis
39.
business analysis
40.
business process analysis
41.
C. Numerical analysis
42.
cache vulnerability analysis
43.
calculation analysis
44.
case analysis methodology
45.
cash flow analysis
46.
cash-based analysis
47.
Choice-Based Conjoint analysis
48.
circuit analysis
49.
citation analysis
50.
climate analysis
51.
cluster analysis
52.
clustering analysis
53.
CO2 concentration analysis
54.
co-citation analysis
55.
comparative analysis
56.
competition analysis
57.
component dependency analysis
58.
Computational Fluid Dynamics (CFD) analysis
59.
conceptual framework for safety/risk analysis
60.
content analysis
61.
control system analysis
62.
Convergence analysis
63.
correlation analysis
64.
Cost & benefit analysis
65.
cost analysis
66.
cost benefit analysis
67.
cost efficiency analysis
68.
cost-benefit analysis
69.
cost-effectiveness analysis
70.
costing analysis cataloging processes
71.
country analysis model
72.
coupled and decoupled analysis
73.
co-word analysis
74.
critical disclosure analysis
75.
cross-lagged analysis
76.
cross-language analysis
77.
cryoelectron microscopy single-particle analysis
78.
dairy product analysis
79.
data analysis
80.
data envelopment analysis
81.
defect and failure analysis
82.
dependency analysis
83.
descriptive sensory analysis
84.
determinacy analysis
85.
detrended fluctuation analysis (DFA)
86.
deviation analysis
87.
DFM analysis
88.
Differential Power Analysis (DPA)
89.
differential thermal analysis (DTA)
90.
digital image analysis
91.
discrete analysis
92.
discrete spectral analysis
93.
discriminant analysis
94.
dispersion analysis
95.
domain analysis
96.
domain analysis and engineering
97.
donor behavior analysis
98.
droplet analysis
99.
droplet digital image analysis
100.
DuPont analysis
101.
dynamic analysis
102.
dynamic handwriting analysis
103.
EBSD analysis
104.
economic analysis
105.
Economic growth and aggregate productivity regional government analysis
106.
EEG analysis
107.
efficiency analysis
108.
efficiency map analysis
109.
Eigenvalue analysis
110.
electric machine analysis computing
111.
electric network analysis
112.
electromagnetic analysis
113.
electron backscattered diffraction analysis
114.
elemental analysis
115.
ELF Binary Analysis
116.
empirical analysis
117.
energy system analysis
118.
Enrichment analysis
119.
enterprise analysis model (EAM)
120.
enterprise data analysis
121.
environmental analysis
122.
EOF analysis
123.
epistemological analysis
124.
error analysis
125.
event log analysis
126.
evolved gas analysis
127.
Evolved gas analysis (EGA)
128.
ex post analysis
129.
experimental analysis
130.
experimental modal analysis
131.
explicit analysis
132.
exploratory analysis
133.
exploratory data analysis
134.
factor analysis
135.
failure analysis
136.
Failure mode and effect analysis (FMEA)
137.
failure modes and effect analysis
138.
fast independent component analysis
139.
fault analysis
140.
fault analysis model
141.
fault tree analysis
142.
FEA analysis
143.
feasibility analysis
144.
feature analysis
145.
FEM analysis
146.
financial statement analysis
147.
fingerprint analysis
148.
finite element (FE) analysis
149.
finite element analysis
150.
finite element analysis (FEA)
151.
finite-element (FE) analysis
152.
finite-element analysis
153.
flow analysis
154.
flow network analysis
155.
Flux balance analysis
156.
flux balance analysis biotechnological processes
157.
food analysis
158.
forensic analysis
159.
forensic soil analysis
160.
formal concept analysis
161.
Fourier analysis
162.
fractal analysis
163.
framing analysis
164.
free vibration analysis
165.
frequency analysis
166.
frequency domain analysis
167.
frequency response analysis
168.
frequency-domain analysis
169.
functional data analysis
170.
functional gene analysis
171.
functional institutional analysis
172.
fuzzy set qualitative comparative analysis (fsQCA)
173.
gait analysis
174.
gap analysis
175.
gate-level analysis
176.
GC/MS analysis
177.
genome-wide analysis
178.
geospatial analysis
179.
girder analysis
180.
GIS analysis
181.
grading analysis
182.
grain-size analysis
183.
grounding damage analysis
184.
harmonic analysis
185.
hierarchical cluster analysis (statistics)
186.
hierarchical timing analysis
187.
hierarchical two-level analysis
188.
high-speed thermogravimetric analysis
189.
high-temperature differential thermal analysis (HDTA)
190.
high-throughput analysis
191.
identity structure analysis
192.
Identity Structure Analysis (ISA)
193.
image analysis
194.
impact analysis
195.
index number analysis
196.
information analysis
197.
innovative support analysis
198.
input-output analysis
199.
institutional analysis
200.
integrated system of performance analysis
201.
international comparative analysis
202.
intsitutional analysis
203.
investment analysis
204.
investment impact analysis
205.
isogeometric analysis
206.
kinetic analysis
207.
Lagrangian analysis
208.
landscape analysis
209.
learning analysis
210.
life cycle analysis
211.
life cycle analysis (LCA)
212.
life cycle cost analysis (LCCA)
213.
lifetime analysis
214.
linguistic analysis
215.
link analysis
216.
literature analysis
217.
lithofacies analysis
218.
load-bearing analysis
219.
log file analysis
220.
logical analysis
221.
logico-phaneroscopical analysis
222.
long-term performance analysis
223.
Lyapunov analysis
224.
machinery utilization analysis
225.
macroeconomic analysis
226.
macrofossil analysis
227.
MALDI-TOF mass spectrometry analysis
228.
malware analysis
229.
map analysis
230.
market analysis
231.
market basket analysis
232.
mass analysis
233.
Material flow analysis
234.
materials computational analysis
235.
mathematical analysis
236.
matrix analysis
237.
mediation analysis
238.
melissopalynological analysis
239.
meta-analysis
240.
metabolic control analysis
241.
metabolic flux analysis
242.
metabolic pathways analysis
243.
metagenome analysis
244.
Metagenomic analysis
245.
metallographic analysis
246.
metaphors in analysis
247.
meta-regression analysis
248.
method of analysis
249.
method of signature analysis of outgoing traffic
250.
methods: data analysis
251.
MICMAC analysis
252.
microarray analysis
253.
microfacies analysis
254.
microscopy image analysis
255.
microstructural analysis
256.
milk analysis
257.
mixing analysis
258.
modal analysis
259.
Module Analysis
260.
Monetary policy analysis
261.
Monte Carlo analysis
262.
motion analysis
263.
motor current signature analysis
264.
multi scale analysis
265.
multi-country analysis
266.
multicriteria analysis
267.
multi-criteria analysis
268.
Multi-criteria decision analysis
269.
multi-criteria-analysis
270.
multifractal analysis
271.
multiphysics analysis
272.
Multiple criteria analysis
273.
multiple factorial analysis
274.
multivariate analysis
275.
multivariate data analysis
276.
mutation analysis
277.
network analysis
278.
noise analysis
279.
non-commutative complex analysis
280.
numerical analysis
281.
organic residue analysis
282.
package test analysis
283.
paper micro-zone analysis
284.
particle size analysis
285.
PCA analysis
286.
peptide analysis
287.
performance analysis
288.
performance analysis reconfigurable architectures
289.
PESTEL analysis
290.
phenotypic analysis
291.
phylogenetic analysis
292.
pollen analysis
293.
popularity analysis
294.
post-analysis of rules
295.
power system analysis computing
296.
predictive analysis
297.
principal component analysis
298.
principal component analysis (PCA)
299.
profitability analysis
300.
program analysis
301.
pulse analysis
302.
pulse wave analysis
303.
pulse waveform analysis
304.
qualitative analysis
305.
qualitative and quantitative analysis
306.
qualitative comparison analysis
307.
quantitative analysis
308.
quantitative chemical analysis
309.
quantitative metal analysis
310.
quantitative risk analysis
311.
quantitative XRD analysis
312.
quasi steady state (QSS) analysis
313.
quasi-static analysis
314.
Raman analysis
315.
ramp behavior analysis
316.
ramping behaviour analysis
317.
ratio analysis
318.
Real-time Analysis
319.
regression analysis
320.
Regression tree analysis
321.
reliability analysis
322.
risk analysis
323.
risk preference analysis
324.
robot-cell performance analysis
325.
robust stability analysis
326.
robustness analysis
327.
RTL analysis
328.
scenario analysis
329.
security analysis
330.
security log analysis
331.
self-analysis
332.
SEM analysis
333.
sensitivity analysis
334.
Sensors modeling and analysis
335.
sensory analysis
336.
sentiment analysis
337.
signal analysis
338.
similarity analysis
339.
simulation analysis
340.
Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA)
341.
singular spectrum analysis (SSA)
342.
situational analysis
343.
sobol sensitivity analysis
344.
social network analysis
345.
social-economic analysis
346.
sociotechnical analysis
347.
spatial analysis
348.
spatial data analysis
349.
spectral analysis
350.
spectrogram analysis
351.
spectrum analysis
352.
spore and pollen analysis
353.
stability analysis
354.
stable isotope analysis
355.
stakeholder analysis
356.
static analysis
357.
static timing analysis
358.
statistical analysis
359.
steady state analysis
360.
steady-state analysis
361.
steady‐state growth space analysis
362.
stedy-state analysis
363.
strength analysis
364.
string analysis
365.
structural analysis
366.
structural decomposition analysis
367.
structure computer analysis
368.
student data analysis
369.
suitability analysis
370.
surface wave analysis
371.
survival analysis
372.
SWOT analysis
373.
symbolic data analysis
374.
symmetry analysis
375.
synchronous reluctance motors thermal analysis
376.
system analysis
377.
system analysis and design
378.
system integrated analysis
379.
system-level analysis
380.
systems integrated analysis
381.
systems-theoretic process analysis (STPA)
382.
task analysis
383.
taste dilution analysis
384.
technical analysis
385.
technoeconomic analysis
386.
Techno-economic analysis
387.
technology analysis
388.
TEM and SEM analysis
389.
term-frequency analysis
390.
testability analysis
391.
texture profile analysis
392.
the accuracy of monitoring in analysis of impact impulses
393.
thematic analysis
394.
thematic content analysis
395.
theoretical analysis
396.
thermal analysis
397.
thermal analysis tool
398.
thermodynamic analysis
399.
thermogravimetric analysis
400.
time analysis
401.
time domain analysis
402.
time series analysis
403.
timing analysis
404.
tolerance analysis
405.
topographic analysis
406.
training needs analysis
407.
Transdermal analysis patch
408.
transformer analysis
409.
transient analysis
410.
trend analysis
411.
uncertainty analysis
412.
urban analysis
413.
user click behaviour analysis
414.
value network analysis
415.
water analysis
416.
waveform analysis
417.
wavelet analysis
418.
weak signal analysis
419.
wear analysis
420.
western blot analysis
421.
vibrational analysis
422.
wind analysis
423.
visco-thermal analysis
424.
visits registration and statistical analysis
425.
work analysis
426.
X-ray analysis
427.
X-ray crystallographic analysis
428.
X-ray line-profile analysis
429.
XRD structure analysis
430.
XYZ analysis
431.
(computational fluid dynamics) CFD analysis
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