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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
466
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.
dissipation analysis
101.
domain analysis
102.
domain analysis and engineering
103.
donor behavior analysis
104.
droplet analysis
105.
droplet digital image analysis
106.
DuPont analysis
107.
dynamic analysis
108.
dynamic handwriting analysis
109.
EBSD analysis
110.
econometric analysis
111.
economic analysis
112.
economic feasibility analysis
113.
Economic growth and aggregate productivity regional government analysis
114.
EEG analysis
115.
efficiency analysis
116.
efficiency map analysis
117.
Eigenvalue analysis
118.
electric machine analysis computing
119.
electric network analysis
120.
electromagnetic analysis
121.
electron backscattered diffraction analysis
122.
elemental analysis
123.
ELF Binary Analysis
124.
empirical analysis
125.
energy system analysis
126.
Enrichment analysis
127.
enterprise analysis model (EAM)
128.
enterprise data analysis
129.
environmental analysis
130.
EOF analysis
131.
epistemological analysis
132.
error analysis
133.
event log analysis
134.
evolved gas analysis
135.
Evolved gas analysis (EGA)
136.
ex post analysis
137.
experimental analysis
138.
experimental modal analysis
139.
explicit analysis
140.
exploratory analysis
141.
exploratory data analysis
142.
extreme value analysis
143.
factor analysis
144.
failure analysis
145.
Failure mode and effect analysis (FMEA)
146.
failure modes and effect analysis
147.
fast independent component analysis
148.
fault analysis
149.
fault analysis model
150.
fault tree analysis
151.
FE analysis
152.
FEA analysis
153.
feasibility analysis
154.
feature analysis
155.
FEM analysis
156.
financial statement analysis
157.
fingerprint analysis
158.
finite element (FE) analysis
159.
finite element analysis
160.
finite element analysis (FEA)
161.
finite element analysis benchmarking
162.
finite-element (FE) analysis
163.
finite-element analysis
164.
flow analysis
165.
flow network analysis
166.
Flux balance analysis
167.
flux balance analysis biotechnological processes
168.
food analysis
169.
forensic analysis
170.
forensic soil analysis
171.
formal concept analysis
172.
Fourier analysis
173.
fractal analysis
174.
framing analysis
175.
free vibration analysis
176.
frequency analysis
177.
frequency domain analysis
178.
frequency response analysis
179.
frequency transform analysis
180.
frequency-domain analysis
181.
functional data analysis
182.
functional gene analysis
183.
functional institutional analysis
184.
fuzzy set qualitative comparative analysis (fsQCA)
185.
Fuzzy-Set Qualitative comparative analysis
186.
gait analysis
187.
gap analysis
188.
gate-level analysis
189.
GC/MS analysis
190.
genome-wide analysis
191.
geospatial analysis
192.
girder analysis
193.
GIS analysis
194.
grading analysis
195.
grain-size analysis
196.
grounding damage analysis
197.
harmonic analysis
198.
hierarchical cluster analysis (statistics)
199.
hierarchical timing analysis
200.
hierarchical two-level analysis
201.
high-speed thermogravimetric analysis
202.
high-temperature differential thermal analysis (HDTA)
203.
high-throughput analysis
204.
human motion analysis
205.
identity structure analysis
206.
Identity Structure Analysis (ISA)
207.
image analysis
208.
impact analysis
209.
index number analysis
210.
inductive qualitative content analysis
211.
information analysis
212.
innovative support analysis
213.
input-output analysis
214.
institutional analysis
215.
integrated system of performance analysis
216.
international comparative analysis
217.
intsitutional analysis
218.
investment analysis
219.
investment impact analysis
220.
isogeometric analysis
221.
kinetic analysis
222.
Lagrangian analysis
223.
landscape analysis
224.
learning analysis
225.
life cycle analysis
226.
life cycle analysis (LCA)
227.
life cycle cost analysis (LCCA)
228.
life-cycle cost analysis
229.
lifetime analysis
230.
linguistic analysis
231.
link analysis
232.
literature analysis
233.
lithofacies analysis
234.
load-bearing analysis
235.
log file analysis
236.
logical analysis
237.
logico-phaneroscopical analysis
238.
long-term performance analysis
239.
Lyapunov analysis
240.
machinery utilization analysis
241.
macroeconomic analysis
242.
macrofossil analysis
243.
MALDI-TOF mass spectrometry analysis
244.
malware analysis
245.
map analysis
246.
market analysis
247.
market basket analysis
248.
mass analysis
249.
Material flow analysis
250.
materials computational analysis
251.
mathematical analysis
252.
matrix analysis
253.
mediation analysis
254.
melissopalynological analysis
255.
meta-analysis
256.
metabolic control analysis
257.
metabolic flux analysis
258.
metabolic pathways analysis
259.
metagenetic analysis
260.
metagenome analysis
261.
Metagenomic analysis
262.
metallographic analysis
263.
metaphors in analysis
264.
meta-regression analysis
265.
method of analysis
266.
method of signature analysis of outgoing traffic
267.
methods: data analysis
268.
MICMAC analysis
269.
microarray analysis
270.
microfacies analysis
271.
microscope analysis
272.
microscopy image analysis
273.
microstructural analysis
274.
milk analysis
275.
mixing analysis
276.
modal analysis
277.
Module Analysis
278.
Monetary policy analysis
279.
Monte Carlo analysis
280.
morphotectonic analysis
281.
motion analysis
282.
motor current signature analysis
283.
multi scale analysis
284.
multi-country analysis
285.
multicriteria analysis
286.
multi-criteria analysis
287.
Multi-criteria decision analysis
288.
multi-criteria-analysis
289.
multifractal analysis
290.
multiphysics analysis
291.
Multiple criteria analysis
292.
multiple factorial analysis
293.
multivariate analysis
294.
multivariate data analysis
295.
mutation analysis
296.
network analysis
297.
noise analysis
298.
non-Archimedean analysis
299.
non-commutative complex analysis
300.
nonlinear analysis
301.
numerical analysis
302.
organic residue analysis
303.
package test analysis
304.
paper micro-zone analysis
305.
parametric multi-impact analysis
306.
Pareto front analysis
307.
particle size analysis
308.
PCA analysis
309.
peptide analysis
310.
performance analysis
311.
performance analysis reconfigurable architectures
312.
PESTEL analysis
313.
phenotypic analysis
314.
phylogenetic analysis
315.
pollen analysis
316.
popularity analysis
317.
post-analysis of rules
318.
power mismatch analysis
319.
power system analysis computing
320.
predictive analysis
321.
principal component analysis
322.
principal component analysis (PCA)
323.
probabilistic analysis
324.
profitability analysis
325.
program analysis
326.
pulse analysis
327.
Pulse shape analysis
328.
pulse wave analysis
329.
pulse waveform analysis
330.
qualitative analysis
331.
qualitative and quantitative analysis
332.
qualitative comparison analysis
333.
quantitative analysis
334.
quantitative chemical analysis
335.
quantitative metal analysis
336.
quantitative risk analysis
337.
quantitative XRD analysis
338.
quasi steady state (QSS) analysis
339.
quasi-static analysis
340.
Raman analysis
341.
ramp behavior analysis
342.
ramping behaviour analysis
343.
ratio analysis
344.
Real-time Analysis
345.
real-time vibration analysis
346.
regression analysis
347.
Regression tree analysis
348.
reliability analysis
349.
risk analysis
350.
risk preference analysis
351.
robot-cell performance analysis
352.
robust stability analysis
353.
robustness analysis
354.
RTL analysis
355.
scenario analysis
356.
security analysis
357.
security log analysis
358.
self-analysis
359.
SEM analysis
360.
SEM-analysis
361.
sensitivity analysis
362.
Sensors modeling and analysis
363.
sensory analysis
364.
sentiment analysis
365.
sequence analysis
366.
signal analysis
367.
similarity analysis
368.
simulation analysis
369.
simulation and analysis
370.
Simultaneous thermogravimetry (TG) and differential thermal analysis (DTA)
371.
single crystal analysis
372.
singular spectrum analysis (SSA)
373.
situational analysis
374.
sobol sensitivity analysis
375.
social network analysis
376.
social-economic analysis
377.
sociotechnical analysis
378.
spatial analysis
379.
spatial data analysis
380.
spatio-temporal analysis
381.
spectral analysis
382.
spectrogram analysis
383.
Spectrophotometric analysis
384.
spectrum analysis
385.
spore and pollen analysis
386.
stability analysis
387.
stable isotope analysis
388.
stakeholder analysis
389.
static analysis
390.
static timing analysis
391.
statistical analysis
392.
steady state analysis
393.
steady-state analysis
394.
steady‐state growth space analysis
395.
stedy-state analysis
396.
strength analysis
397.
string analysis
398.
structural analysis
399.
structural decomposition analysis
400.
structure computer analysis
401.
student data analysis
402.
suitability analysis
403.
surface wave analysis
404.
survival analysis
405.
SWOT analysis
406.
symbolic data analysis
407.
symmetry analysis
408.
synchronous reluctance motors thermal analysis
409.
system analysis
410.
system analysis and design
411.
system integrated analysis
412.
system-level analysis
413.
systems integrated analysis
414.
systems-theoretic process analysis (STPA)
415.
task analysis
416.
taste dilution analysis
417.
technical analysis
418.
technoeconomic analysis
419.
Techno-economic analysis
420.
technology analysis
421.
TEM and SEM analysis
422.
TEM-analysis
423.
term-frequency analysis
424.
testability analysis
425.
texture profile analysis
426.
the accuracy of monitoring in analysis of impact impulses
427.
thematic analysis
428.
thematic content analysis
429.
theoretical analysis
430.
thermal analysis
431.
thermal analysis tool
432.
thermodynamic analysis
433.
thermoeconomic analysis
434.
thermogravimetric analysis
435.
time analysis
436.
time domain analysis
437.
time series analysis
438.
timing analysis
439.
tolerance analysis
440.
topographic analysis
441.
training needs analysis
442.
Transdermal analysis patch
443.
transformer analysis
444.
transient analysis
445.
trend analysis
446.
uncertainty analysis
447.
urban analysis
448.
user click behaviour analysis
449.
value network analysis
450.
water analysis
451.
waveform analysis
452.
wavelet analysis
453.
weak signal analysis
454.
wear analysis
455.
western blot analysis
456.
vibrational analysis
457.
wind analysis
458.
visco-thermal analysis
459.
visits registration and statistical analysis
460.
work analysis
461.
X-ray analysis
462.
X-ray crystallographic analysis
463.
X-ray line-profile analysis
464.
XRD structure analysis
465.
XYZ analysis
466.
(computational fluid dynamics) CFD analysis
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