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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
424
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.
genome-wide analysis
173.
geospatial analysis
174.
girder analysis
175.
GIS analysis
176.
grading analysis
177.
grain-size analysis
178.
grounding damage analysis
179.
harmonic analysis
180.
hierarchical cluster analysis (statistics)
181.
hierarchical timing analysis
182.
hierarchical two-level analysis
183.
high-speed thermogravimetric analysis
184.
high-temperature differential thermal analysis (HDTA)
185.
high-throughput analysis
186.
identity structure analysis
187.
Identity Structure Analysis (ISA)
188.
image analysis
189.
impact analysis
190.
index number analysis
191.
information analysis
192.
innovative support analysis
193.
input-output analysis
194.
institutional analysis
195.
integrated system of performance analysis
196.
international comparative analysis
197.
intsitutional analysis
198.
investment analysis
199.
investment impact analysis
200.
isogeometric analysis
201.
kinetic analysis
202.
Lagrangian analysis
203.
landscape analysis
204.
learning analysis
205.
life cycle analysis
206.
life cycle analysis (LCA)
207.
life cycle cost analysis (LCCA)
208.
lifetime analysis
209.
linguistic analysis
210.
link analysis
211.
literature analysis
212.
lithofacies analysis
213.
load-bearing analysis
214.
log file analysis
215.
logical analysis
216.
logico-phaneroscopical analysis
217.
long-term performance analysis
218.
Lyapunov analysis
219.
machinery utilization analysis
220.
macroeconomic analysis
221.
macrofossil analysis
222.
MALDI-TOF mass spectrometry analysis
223.
malware analysis
224.
map analysis
225.
market analysis
226.
market basket analysis
227.
mass analysis
228.
Material flow analysis
229.
materials computational analysis
230.
mathematical analysis
231.
matrix analysis
232.
mediation analysis
233.
melissopalynological analysis
234.
meta-analysis
235.
metabolic control analysis
236.
metabolic flux analysis
237.
metabolic pathways analysis
238.
metagenome analysis
239.
Metagenomic analysis
240.
metallographic analysis
241.
metaphors in analysis
242.
meta-regression analysis
243.
method of analysis
244.
method of signature analysis of outgoing traffic
245.
methods: data analysis
246.
MICMAC analysis
247.
microarray analysis
248.
microfacies analysis
249.
microscopy image analysis
250.
microstructural analysis
251.
milk analysis
252.
mixing analysis
253.
modal analysis
254.
Module Analysis
255.
Monetary policy analysis
256.
Monte Carlo analysis
257.
motion analysis
258.
motor current signature analysis
259.
multi scale analysis
260.
multi-country analysis
261.
multicriteria analysis
262.
multi-criteria analysis
263.
Multi-criteria decision analysis
264.
multifractal analysis
265.
multiphysics analysis
266.
Multiple criteria analysis
267.
multiple factorial analysis
268.
multivariate analysis
269.
multivariate data analysis
270.
mutation analysis
271.
network analysis
272.
non-commutative complex analysis
273.
numerical analysis
274.
organic residue analysis
275.
package test analysis
276.
paper micro-zone analysis
277.
particle size analysis
278.
PCA analysis
279.
peptide analysis
280.
performance analysis
281.
performance analysis reconfigurable architectures
282.
PESTEL analysis
283.
phenotypic analysis
284.
phylogenetic analysis
285.
pollen analysis
286.
popularity analysis
287.
post-analysis of rules
288.
power system analysis computing
289.
predictive analysis
290.
principal component analysis
291.
principal component analysis (PCA)
292.
profitability analysis
293.
program analysis
294.
pulse analysis
295.
pulse wave analysis
296.
pulse waveform analysis
297.
qualitative analysis
298.
qualitative and quantitative analysis
299.
qualitative comparison analysis
300.
quantitative analysis
301.
quantitative chemical analysis
302.
quantitative metal analysis
303.
quantitative risk analysis
304.
quantitative XRD analysis
305.
quasi steady state (QSS) analysis
306.
quasi-static analysis
307.
Raman analysis
308.
ramp behavior analysis
309.
ramping behaviour analysis
310.
ratio analysis
311.
Real-time Analysis
312.
regression analysis
313.
Regression tree analysis
314.
reliability analysis
315.
risk analysis
316.
risk preference analysis
317.
robot-cell performance analysis
318.
robust stability analysis
319.
robustness analysis
320.
RTL analysis
321.
scenario analysis
322.
security analysis
323.
security log analysis
324.
self-analysis
325.
SEM analysis
326.
sensitivity analysis
327.
Sensors modeling and analysis
328.
sensory analysis
329.
sentiment analysis
330.
signal analysis
331.
similarity analysis
332.
simulation analysis
333.
Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA)
334.
singular spectrum analysis (SSA)
335.
situational analysis
336.
sobol sensitivity analysis
337.
social network analysis
338.
social-economic analysis
339.
sociotechnical analysis
340.
spatial analysis
341.
spatial data analysis
342.
spectral analysis
343.
spectrogram analysis
344.
spectrum analysis
345.
spore and pollen analysis
346.
stability analysis
347.
stable isotope analysis
348.
stakeholder analysis
349.
static analysis
350.
static timing analysis
351.
statistical analysis
352.
steady state analysis
353.
steady-state analysis
354.
steady‐state growth space analysis
355.
stedy-state analysis
356.
strength analysis
357.
string analysis
358.
structural analysis
359.
structural decomposition analysis
360.
structure computer analysis
361.
student data analysis
362.
suitability analysis
363.
surface wave analysis
364.
survival analysis
365.
SWOT analysis
366.
symbolic data analysis
367.
symmetry analysis
368.
synchronous reluctance motors thermal analysis
369.
system analysis
370.
system analysis and design
371.
system integrated analysis
372.
system-level analysis
373.
systems integrated analysis
374.
systems-theoretic process analysis (STPA)
375.
task analysis
376.
taste dilution analysis
377.
technical analysis
378.
technoeconomic analysis
379.
Techno-economic analysis
380.
technology analysis
381.
TEM and SEM analysis
382.
term-frequency analysis
383.
testability analysis
384.
texture profile analysis
385.
the accuracy of monitoring in analysis of impact impulses
386.
thematic analysis
387.
thematic content analysis
388.
theoretical analysis
389.
thermal analysis
390.
thermal analysis tool
391.
thermodynamic analysis
392.
thermogravimetric analysis
393.
time analysis
394.
time domain analysis
395.
time series analysis
396.
timing analysis
397.
tolerance analysis
398.
topographic analysis
399.
training needs analysis
400.
Transdermal analysis patch
401.
transformer analysis
402.
transient analysis
403.
trend analysis
404.
uncertainty analysis
405.
urban analysis
406.
user click behaviour analysis
407.
value network analysis
408.
water analysis
409.
waveform analysis
410.
wavelet analysis
411.
weak signal analysis
412.
wear analysis
413.
western blot analysis
414.
vibrational analysis
415.
wind analysis
416.
visco-thermal analysis
417.
visits registration and statistical analysis
418.
work analysis
419.
X-ray analysis
420.
X-ray crystallographic analysis
421.
X-ray line-profile analysis
422.
XRD structure analysis
423.
XYZ analysis
424.
(computational fluid dynamics) CFD analysis
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