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1
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
453
1.
conformational analysis
2.
conformational analyses
3.
conformational design
4.
conformational rigidity
5.
conformational study
6.
conformational switching
7.
ABC analysis
8.
AC analysis
9.
accuracy analysis
10.
acoustic analysis
11.
acoustic signal analysis
12.
activation analysis
13.
algebraic analysis
14.
amino acids analysis
15.
analysis
16.
analysis costs
17.
analysis methods
18.
analysis model
19.
analysis patterns
20.
analysis software
21.
analysis structuring
22.
analytical analysis
23.
analytical flow network analysis
24.
application analysis
25.
asymptotic analysis
26.
audio signal analysis
27.
autocorrelation analysis
28.
bandwidth analysis
29.
banking analysis
30.
barrier analysis
31.
benchmark analysis
32.
bibliometric analysis
33.
big data analysis
34.
big graph analysis
35.
Biochemical analysis
36.
bioelectrical impedance analysis
37.
bioinformatic analysis
38.
biomass composition analysis
39.
Bland-Altman analysis
40.
break-even analysis
41.
Buckling analysis
42.
business analysis
43.
business process analysis
44.
C. Numerical analysis
45.
cache vulnerability analysis
46.
calculation analysis
47.
case analysis methodology
48.
cash flow analysis
49.
cash-based analysis
50.
Choice-Based Conjoint analysis
51.
circuit analysis
52.
citation analysis
53.
climate analysis
54.
cluster analysis
55.
clustering analysis
56.
CO2 concentration analysis
57.
co-citation analysis
58.
comparative analysis
59.
competition analysis
60.
component dependency analysis
61.
Computational Fluid Dynamics (CFD) analysis
62.
conceptual framework for safety/risk analysis
63.
content analysis
64.
control system analysis
65.
Convergence analysis
66.
correlation analysis
67.
Cost & benefit analysis
68.
cost analysis
69.
cost benefit analysis
70.
cost efficiency analysis
71.
cost-benefit analysis
72.
cost-effectiveness analysis
73.
costing analysis cataloging processes
74.
country analysis model
75.
coupled and decoupled analysis
76.
co-word analysis
77.
critical disclosure analysis
78.
critical discourse analysis
79.
cross-lagged analysis
80.
cross-language analysis
81.
cryoelectron microscopy single-particle analysis
82.
curricula content analysis
83.
dairy product analysis
84.
data analysis
85.
data envelopment analysis
86.
defect and failure analysis
87.
dependency analysis
88.
descriptive sensory analysis
89.
determinacy analysis
90.
detrended fluctuation analysis (DFA)
91.
deviation analysis
92.
DFM analysis
93.
Differential Power Analysis (DPA)
94.
differential thermal analysis (DTA)
95.
digital image analysis
96.
discrete analysis
97.
discrete spectral analysis
98.
discriminant analysis
99.
dispersion analysis
100.
domain analysis
101.
domain analysis and engineering
102.
donor behavior analysis
103.
droplet analysis
104.
droplet digital image analysis
105.
DuPont analysis
106.
dynamic analysis
107.
dynamic handwriting analysis
108.
EBSD analysis
109.
economic analysis
110.
Economic growth and aggregate productivity regional government analysis
111.
EEG analysis
112.
efficiency analysis
113.
efficiency map analysis
114.
Eigenvalue analysis
115.
electric machine analysis computing
116.
electric network analysis
117.
electromagnetic analysis
118.
electron backscattered diffraction analysis
119.
elemental analysis
120.
ELF Binary Analysis
121.
empirical analysis
122.
energy system analysis
123.
Enrichment analysis
124.
enterprise analysis model (EAM)
125.
enterprise data analysis
126.
environmental analysis
127.
EOF analysis
128.
epistemological analysis
129.
error analysis
130.
event log analysis
131.
evolved gas analysis
132.
Evolved gas analysis (EGA)
133.
ex post analysis
134.
experimental analysis
135.
experimental modal analysis
136.
explicit analysis
137.
exploratory analysis
138.
exploratory data analysis
139.
factor analysis
140.
failure analysis
141.
Failure mode and effect analysis (FMEA)
142.
failure modes and effect analysis
143.
fast independent component analysis
144.
fault analysis
145.
fault analysis model
146.
fault tree analysis
147.
FEA analysis
148.
feasibility analysis
149.
feature analysis
150.
FEM analysis
151.
financial statement analysis
152.
fingerprint analysis
153.
finite element (FE) analysis
154.
finite element analysis
155.
finite element analysis (FEA)
156.
finite element analysis benchmarking
157.
finite-element (FE) analysis
158.
finite-element analysis
159.
flow analysis
160.
flow network analysis
161.
Flux balance analysis
162.
flux balance analysis biotechnological processes
163.
food analysis
164.
forensic analysis
165.
forensic soil analysis
166.
formal concept analysis
167.
Fourier analysis
168.
fractal analysis
169.
framing analysis
170.
free vibration analysis
171.
frequency analysis
172.
frequency domain analysis
173.
frequency response analysis
174.
frequency transform analysis
175.
frequency-domain analysis
176.
functional data analysis
177.
functional gene analysis
178.
functional institutional analysis
179.
fuzzy set qualitative comparative analysis (fsQCA)
180.
Fuzzy-Set Qualitative comparative analysis
181.
gait analysis
182.
gap analysis
183.
gate-level analysis
184.
GC/MS analysis
185.
genome-wide analysis
186.
geospatial analysis
187.
girder analysis
188.
GIS analysis
189.
grading analysis
190.
grain-size analysis
191.
grounding damage analysis
192.
harmonic analysis
193.
hierarchical cluster analysis (statistics)
194.
hierarchical timing analysis
195.
hierarchical two-level analysis
196.
high-speed thermogravimetric analysis
197.
high-temperature differential thermal analysis (HDTA)
198.
high-throughput analysis
199.
human motion analysis
200.
identity structure analysis
201.
Identity Structure Analysis (ISA)
202.
image analysis
203.
impact analysis
204.
index number analysis
205.
inductive qualitative content analysis
206.
information analysis
207.
innovative support analysis
208.
input-output analysis
209.
institutional analysis
210.
integrated system of performance analysis
211.
international comparative analysis
212.
intsitutional analysis
213.
investment analysis
214.
investment impact analysis
215.
isogeometric analysis
216.
kinetic analysis
217.
Lagrangian analysis
218.
landscape analysis
219.
learning analysis
220.
life cycle analysis
221.
life cycle analysis (LCA)
222.
life cycle cost analysis (LCCA)
223.
life-cycle cost analysis
224.
lifetime analysis
225.
linguistic analysis
226.
link analysis
227.
literature analysis
228.
lithofacies analysis
229.
load-bearing analysis
230.
log file analysis
231.
logical analysis
232.
logico-phaneroscopical analysis
233.
long-term performance analysis
234.
Lyapunov analysis
235.
machinery utilization analysis
236.
macroeconomic analysis
237.
macrofossil analysis
238.
MALDI-TOF mass spectrometry analysis
239.
malware analysis
240.
map analysis
241.
market analysis
242.
market basket analysis
243.
mass analysis
244.
Material flow analysis
245.
materials computational analysis
246.
mathematical analysis
247.
matrix analysis
248.
mediation analysis
249.
melissopalynological analysis
250.
meta-analysis
251.
metabolic control analysis
252.
metabolic flux analysis
253.
metabolic pathways analysis
254.
metagenetic analysis
255.
metagenome analysis
256.
Metagenomic analysis
257.
metallographic analysis
258.
metaphors in analysis
259.
meta-regression analysis
260.
method of analysis
261.
method of signature analysis of outgoing traffic
262.
methods: data analysis
263.
MICMAC analysis
264.
microarray analysis
265.
microfacies analysis
266.
microscope analysis
267.
microscopy image analysis
268.
microstructural analysis
269.
milk analysis
270.
mixing analysis
271.
modal analysis
272.
Module Analysis
273.
Monetary policy analysis
274.
Monte Carlo analysis
275.
motion analysis
276.
motor current signature analysis
277.
multi scale analysis
278.
multi-country analysis
279.
multicriteria analysis
280.
multi-criteria analysis
281.
Multi-criteria decision analysis
282.
multi-criteria-analysis
283.
multifractal analysis
284.
multiphysics analysis
285.
Multiple criteria analysis
286.
multiple factorial analysis
287.
multivariate analysis
288.
multivariate data analysis
289.
mutation analysis
290.
network analysis
291.
noise analysis
292.
non-commutative complex analysis
293.
numerical analysis
294.
organic residue analysis
295.
package test analysis
296.
paper micro-zone analysis
297.
Pareto front analysis
298.
particle size analysis
299.
PCA analysis
300.
peptide analysis
301.
performance analysis
302.
performance analysis reconfigurable architectures
303.
PESTEL analysis
304.
phenotypic analysis
305.
phylogenetic analysis
306.
pollen analysis
307.
popularity analysis
308.
post-analysis of rules
309.
Power Mismatch Analysis
310.
power system analysis computing
311.
predictive analysis
312.
principal component analysis
313.
principal component analysis (PCA)
314.
profitability analysis
315.
program analysis
316.
pulse analysis
317.
pulse wave analysis
318.
pulse waveform analysis
319.
qualitative analysis
320.
qualitative and quantitative analysis
321.
qualitative comparison analysis
322.
quantitative analysis
323.
quantitative chemical analysis
324.
quantitative metal analysis
325.
quantitative risk analysis
326.
quantitative XRD analysis
327.
quasi steady state (QSS) analysis
328.
quasi-static analysis
329.
Raman analysis
330.
ramp behavior analysis
331.
ramping behaviour analysis
332.
ratio analysis
333.
Real-time Analysis
334.
real-time vibration analysis
335.
regression analysis
336.
Regression tree analysis
337.
reliability analysis
338.
risk analysis
339.
risk preference analysis
340.
robot-cell performance analysis
341.
robust stability analysis
342.
robustness analysis
343.
RTL analysis
344.
scenario analysis
345.
security analysis
346.
security log analysis
347.
self-analysis
348.
SEM analysis
349.
SEM-analysis
350.
sensitivity analysis
351.
Sensors modeling and analysis
352.
sensory analysis
353.
sentiment analysis
354.
signal analysis
355.
similarity analysis
356.
simulation analysis
357.
simulation and analysis
358.
Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA)
359.
single crystal analysis
360.
singular spectrum analysis (SSA)
361.
situational analysis
362.
sobol sensitivity analysis
363.
social network analysis
364.
social-economic analysis
365.
sociotechnical analysis
366.
spatial analysis
367.
spatial data analysis
368.
spectral analysis
369.
spectrogram analysis
370.
Spectrophotometric analysis
371.
spectrum analysis
372.
spore and pollen analysis
373.
stability analysis
374.
stable isotope analysis
375.
stakeholder analysis
376.
static analysis
377.
static timing analysis
378.
statistical analysis
379.
steady state analysis
380.
steady-state analysis
381.
steady‐state growth space analysis
382.
stedy-state analysis
383.
strength analysis
384.
string analysis
385.
structural analysis
386.
structural decomposition analysis
387.
structure computer analysis
388.
student data analysis
389.
suitability analysis
390.
surface wave analysis
391.
survival analysis
392.
SWOT analysis
393.
symbolic data analysis
394.
symmetry analysis
395.
synchronous reluctance motors thermal analysis
396.
system analysis
397.
system analysis and design
398.
system integrated analysis
399.
system-level analysis
400.
systems integrated analysis
401.
systems-theoretic process analysis (STPA)
402.
task analysis
403.
taste dilution analysis
404.
technical analysis
405.
technoeconomic analysis
406.
Techno-economic analysis
407.
technology analysis
408.
TEM and SEM analysis
409.
TEM-analysis
410.
term-frequency analysis
411.
testability analysis
412.
texture profile analysis
413.
the accuracy of monitoring in analysis of impact impulses
414.
thematic analysis
415.
thematic content analysis
416.
theoretical analysis
417.
thermal analysis
418.
thermal analysis tool
419.
thermodynamic analysis
420.
thermoeconomic analysis
421.
thermogravimetric analysis
422.
time analysis
423.
time domain analysis
424.
time series analysis
425.
timing analysis
426.
tolerance analysis
427.
topographic analysis
428.
training needs analysis
429.
Transdermal analysis patch
430.
transformer analysis
431.
transient analysis
432.
trend analysis
433.
uncertainty analysis
434.
urban analysis
435.
user click behaviour analysis
436.
value network analysis
437.
water analysis
438.
waveform analysis
439.
wavelet analysis
440.
weak signal analysis
441.
wear analysis
442.
western blot analysis
443.
vibrational analysis
444.
wind analysis
445.
visco-thermal analysis
446.
visits registration and statistical analysis
447.
work analysis
448.
X-ray analysis
449.
X-ray crystallographic analysis
450.
X-ray line-profile analysis
451.
XRD structure analysis
452.
XYZ analysis
453.
(computational fluid dynamics) CFD analysis
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