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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
455
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.
extreme value analysis
140.
factor analysis
141.
failure analysis
142.
Failure mode and effect analysis (FMEA)
143.
failure modes and effect analysis
144.
fast independent component analysis
145.
fault analysis
146.
fault analysis model
147.
fault tree analysis
148.
FEA analysis
149.
feasibility analysis
150.
feature analysis
151.
FEM analysis
152.
financial statement analysis
153.
fingerprint analysis
154.
finite element (FE) analysis
155.
finite element analysis
156.
finite element analysis (FEA)
157.
finite element analysis benchmarking
158.
finite-element (FE) analysis
159.
finite-element analysis
160.
flow analysis
161.
flow network analysis
162.
Flux balance analysis
163.
flux balance analysis biotechnological processes
164.
food analysis
165.
forensic analysis
166.
forensic soil analysis
167.
formal concept analysis
168.
Fourier analysis
169.
fractal analysis
170.
framing analysis
171.
free vibration analysis
172.
frequency analysis
173.
frequency domain analysis
174.
frequency response analysis
175.
frequency transform analysis
176.
frequency-domain analysis
177.
functional data analysis
178.
functional gene analysis
179.
functional institutional analysis
180.
fuzzy set qualitative comparative analysis (fsQCA)
181.
Fuzzy-Set Qualitative comparative analysis
182.
gait analysis
183.
gap analysis
184.
gate-level analysis
185.
GC/MS analysis
186.
genome-wide analysis
187.
geospatial analysis
188.
girder analysis
189.
GIS analysis
190.
grading analysis
191.
grain-size analysis
192.
grounding damage analysis
193.
harmonic analysis
194.
hierarchical cluster analysis (statistics)
195.
hierarchical timing analysis
196.
hierarchical two-level analysis
197.
high-speed thermogravimetric analysis
198.
high-temperature differential thermal analysis (HDTA)
199.
high-throughput analysis
200.
human motion analysis
201.
identity structure analysis
202.
Identity Structure Analysis (ISA)
203.
image analysis
204.
impact analysis
205.
index number analysis
206.
inductive qualitative content analysis
207.
information analysis
208.
innovative support analysis
209.
input-output analysis
210.
institutional analysis
211.
integrated system of performance analysis
212.
international comparative analysis
213.
intsitutional analysis
214.
investment analysis
215.
investment impact analysis
216.
isogeometric analysis
217.
kinetic analysis
218.
Lagrangian analysis
219.
landscape analysis
220.
learning analysis
221.
life cycle analysis
222.
life cycle analysis (LCA)
223.
life cycle cost analysis (LCCA)
224.
life-cycle cost analysis
225.
lifetime analysis
226.
linguistic analysis
227.
link analysis
228.
literature analysis
229.
lithofacies analysis
230.
load-bearing analysis
231.
log file analysis
232.
logical analysis
233.
logico-phaneroscopical analysis
234.
long-term performance analysis
235.
Lyapunov analysis
236.
machinery utilization analysis
237.
macroeconomic analysis
238.
macrofossil analysis
239.
MALDI-TOF mass spectrometry analysis
240.
malware analysis
241.
map analysis
242.
market analysis
243.
market basket analysis
244.
mass analysis
245.
Material flow analysis
246.
materials computational analysis
247.
mathematical analysis
248.
matrix analysis
249.
mediation analysis
250.
melissopalynological analysis
251.
meta-analysis
252.
metabolic control analysis
253.
metabolic flux analysis
254.
metabolic pathways analysis
255.
metagenetic analysis
256.
metagenome analysis
257.
Metagenomic analysis
258.
metallographic analysis
259.
metaphors in analysis
260.
meta-regression analysis
261.
method of analysis
262.
method of signature analysis of outgoing traffic
263.
methods: data analysis
264.
MICMAC analysis
265.
microarray analysis
266.
microfacies analysis
267.
microscope analysis
268.
microscopy image analysis
269.
microstructural analysis
270.
milk analysis
271.
mixing analysis
272.
modal analysis
273.
Module Analysis
274.
Monetary policy analysis
275.
Monte Carlo analysis
276.
motion analysis
277.
motor current signature analysis
278.
multi scale analysis
279.
multi-country analysis
280.
multicriteria analysis
281.
multi-criteria analysis
282.
Multi-criteria decision analysis
283.
multi-criteria-analysis
284.
multifractal analysis
285.
multiphysics analysis
286.
Multiple criteria analysis
287.
multiple factorial analysis
288.
multivariate analysis
289.
multivariate data analysis
290.
mutation analysis
291.
network analysis
292.
noise analysis
293.
non-commutative complex analysis
294.
numerical analysis
295.
organic residue analysis
296.
package test analysis
297.
paper micro-zone analysis
298.
Pareto front analysis
299.
particle size analysis
300.
PCA analysis
301.
peptide analysis
302.
performance analysis
303.
performance analysis reconfigurable architectures
304.
PESTEL analysis
305.
phenotypic analysis
306.
phylogenetic analysis
307.
pollen analysis
308.
popularity analysis
309.
post-analysis of rules
310.
Power Mismatch Analysis
311.
power system analysis computing
312.
predictive analysis
313.
principal component analysis
314.
principal component analysis (PCA)
315.
profitability analysis
316.
program analysis
317.
pulse analysis
318.
pulse wave analysis
319.
pulse waveform analysis
320.
qualitative analysis
321.
qualitative and quantitative analysis
322.
qualitative comparison analysis
323.
quantitative analysis
324.
quantitative chemical analysis
325.
quantitative metal analysis
326.
quantitative risk analysis
327.
quantitative XRD analysis
328.
quasi steady state (QSS) analysis
329.
quasi-static analysis
330.
Raman analysis
331.
ramp behavior analysis
332.
ramping behaviour analysis
333.
ratio analysis
334.
Real-time Analysis
335.
real-time vibration analysis
336.
regression analysis
337.
Regression tree analysis
338.
reliability analysis
339.
risk analysis
340.
risk preference analysis
341.
robot-cell performance analysis
342.
robust stability analysis
343.
robustness analysis
344.
RTL analysis
345.
scenario analysis
346.
security analysis
347.
security log analysis
348.
self-analysis
349.
SEM analysis
350.
SEM-analysis
351.
sensitivity analysis
352.
Sensors modeling and analysis
353.
sensory analysis
354.
sentiment analysis
355.
sequence analysis
356.
signal analysis
357.
similarity analysis
358.
simulation analysis
359.
simulation and analysis
360.
Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA)
361.
single crystal analysis
362.
singular spectrum analysis (SSA)
363.
situational analysis
364.
sobol sensitivity analysis
365.
social network analysis
366.
social-economic analysis
367.
sociotechnical analysis
368.
spatial analysis
369.
spatial data analysis
370.
spectral analysis
371.
spectrogram analysis
372.
Spectrophotometric analysis
373.
spectrum analysis
374.
spore and pollen analysis
375.
stability analysis
376.
stable isotope analysis
377.
stakeholder analysis
378.
static analysis
379.
static timing analysis
380.
statistical analysis
381.
steady state analysis
382.
steady-state analysis
383.
steady‐state growth space analysis
384.
stedy-state analysis
385.
strength analysis
386.
string analysis
387.
structural analysis
388.
structural decomposition analysis
389.
structure computer analysis
390.
student data analysis
391.
suitability analysis
392.
surface wave analysis
393.
survival analysis
394.
SWOT analysis
395.
symbolic data analysis
396.
symmetry analysis
397.
synchronous reluctance motors thermal analysis
398.
system analysis
399.
system analysis and design
400.
system integrated analysis
401.
system-level analysis
402.
systems integrated analysis
403.
systems-theoretic process analysis (STPA)
404.
task analysis
405.
taste dilution analysis
406.
technical analysis
407.
technoeconomic analysis
408.
Techno-economic analysis
409.
technology analysis
410.
TEM and SEM analysis
411.
TEM-analysis
412.
term-frequency analysis
413.
testability analysis
414.
texture profile analysis
415.
the accuracy of monitoring in analysis of impact impulses
416.
thematic analysis
417.
thematic content analysis
418.
theoretical analysis
419.
thermal analysis
420.
thermal analysis tool
421.
thermodynamic analysis
422.
thermoeconomic analysis
423.
thermogravimetric analysis
424.
time analysis
425.
time domain analysis
426.
time series analysis
427.
timing analysis
428.
tolerance analysis
429.
topographic analysis
430.
training needs analysis
431.
Transdermal analysis patch
432.
transformer analysis
433.
transient analysis
434.
trend analysis
435.
uncertainty analysis
436.
urban analysis
437.
user click behaviour analysis
438.
value network analysis
439.
water analysis
440.
waveform analysis
441.
wavelet analysis
442.
weak signal analysis
443.
wear analysis
444.
western blot analysis
445.
vibrational analysis
446.
wind analysis
447.
visco-thermal analysis
448.
visits registration and statistical analysis
449.
work analysis
450.
X-ray analysis
451.
X-ray crystallographic analysis
452.
X-ray line-profile analysis
453.
XRD structure analysis
454.
XYZ analysis
455.
(computational fluid dynamics) CFD analysis
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