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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
414
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.
materials computational analysis
226.
mathematical analysis
227.
matrix analysis
228.
mediation analysis
229.
melissopalynological analysis
230.
meta-analysis
231.
metabolic control analysis
232.
metabolic flux analysis
233.
metagenome analysis
234.
Metagenomic analysis
235.
metallographic analysis
236.
metaphors in analysis
237.
meta-regression analysis
238.
method of analysis
239.
method of signature analysis of outgoing traffic
240.
MICMAC analysis
241.
microarray analysis
242.
microfacies analysis
243.
microscopy image analysis
244.
microstructural analysis
245.
milk analysis
246.
mixing analysis
247.
modal analysis
248.
Module Analysis
249.
Monetary policy analysis
250.
Monte Carlo analysis
251.
motion analysis
252.
motor current signature analysis
253.
multi scale analysis
254.
multi-country analysis
255.
multicriteria analysis
256.
multi-criteria analysis
257.
Multi-criteria decision analysis
258.
multifractal analysis
259.
multiphysics analysis
260.
Multiple criteria analysis
261.
multivariate analysis
262.
multivariate data analysis
263.
mutation analysis
264.
network analysis
265.
non-commutative complex analysis
266.
numerical analysis
267.
organic residue analysis
268.
package test analysis
269.
paper micro-zone analysis
270.
particle size analysis
271.
PCA analysis
272.
peptide analysis
273.
performance analysis
274.
performance analysis reconfigurable architectures
275.
PESTEL analysis
276.
phenotypic analysis
277.
phylogenetic analysis
278.
popularity analysis
279.
post-analysis of rules
280.
power system analysis computing
281.
predictive analysis
282.
principal component analysis
283.
principal component analysis (PCA)
284.
profitability analysis
285.
program analysis
286.
pulse analysis
287.
pulse wave analysis
288.
pulse waveform analysis
289.
qualitative analysis
290.
qualitative and quantitative analysis
291.
qualitative comparison analysis
292.
quantitative analysis
293.
quantitative chemical analysis
294.
quantitative metal analysis
295.
quantitative risk analysis
296.
quantitative XRD analysis
297.
quasi steady state (QSS) analysis
298.
quasi-static analysis
299.
Raman analysis
300.
ramp behavior analysis
301.
ramping behaviour analysis
302.
ratio analysis
303.
Real-time Analysis
304.
regression analysis
305.
Regression tree analysis
306.
reliability analysis
307.
risk analysis
308.
risk preference analysis
309.
robot-cell performance analysis
310.
robust stability analysis
311.
robustness analysis
312.
RTL analysis
313.
scenario analysis
314.
security analysis
315.
security log analysis
316.
self-analysis
317.
SEM analysis
318.
sensitivity analysis
319.
Sensors modeling and analysis
320.
sensory analysis
321.
sentiment analysis
322.
signal analysis
323.
similarity analysis
324.
simulation analysis
325.
Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA)
326.
singular spectrum analysis (SSA)
327.
situational analysis
328.
sobol sensitivity analysis
329.
social network analysis
330.
social-economic analysis
331.
sociotechnical analysis
332.
spatial analysis
333.
spatial data analysis
334.
spectral analysis
335.
spectrogram analysis
336.
spectrum analysis
337.
spore and pollen analysis
338.
stability analysis
339.
stable isotope analysis
340.
stakeholder analysis
341.
static analysis
342.
static timing analysis
343.
statistical analysis
344.
steady state analysis
345.
steady-state analysis
346.
steady‐state growth space analysis
347.
stedy-state analysis
348.
strength analysis
349.
string analysis
350.
structural analysis
351.
structural decomposition analysis
352.
structure computer analysis
353.
student data analysis
354.
suitability analysis
355.
surface wave analysis
356.
survival analysis
357.
SWOT analysis
358.
symbolic data analysis
359.
symmetry analysis
360.
synchronous reluctance motors thermal analysis
361.
system analysis
362.
system analysis and design
363.
system integrated analysis
364.
system-level analysis
365.
systems integrated analysis
366.
systems-theoretic process analysis (STPA)
367.
task analysis
368.
taste dilution analysis
369.
technical analysis
370.
technoeconomic analysis
371.
Techno-economic analysis
372.
technology analysis
373.
TEM and SEM analysis
374.
term-frequency analysis
375.
testability analysis
376.
texture profile analysis
377.
the accuracy of monitoring in analysis of impact impulses
378.
thematic analysis
379.
thematic content analysis
380.
theoretical analysis
381.
thermal analysis
382.
thermal analysis tool
383.
thermodynamic analysis
384.
thermogravimetric analysis
385.
time analysis
386.
time domain analysis
387.
time series analysis
388.
timing analysis
389.
tolerance analysis
390.
topographic analysis
391.
training needs analysis
392.
Transdermal analysis patch
393.
transformer analysis
394.
transient analysis
395.
trend analysis
396.
uncertainty analysis
397.
urban analysis
398.
user click behaviour analysis
399.
value network analysis
400.
water analysis
401.
waveform analysis
402.
wavelet analysis
403.
wear analysis
404.
western blot analysis
405.
vibrational analysis
406.
wind analysis
407.
visco-thermal analysis
408.
visits registration and statistical analysis
409.
X-ray analysis
410.
X-ray crystallographic analysis
411.
X-ray line-profile analysis
412.
XRD structure analysis
413.
XYZ analysis
414.
(computational fluid dynamics) CFD analysis
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