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