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