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