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