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