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