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density functional theory (võtmesõna)
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artikkel ajakirjas
Calculated tautomeric equilibria and X-ray structures of 2-substituted N-methoxy-9-methyl-9H-purin-6-amines
Gundersen, Lise-Lotte
;
Görbitz, Carl Henrik
;
Neier, Liina
;
Roggen, Heidi
;
Tamm, Toomas
Theoretical chemistry accounts
2011
/
p. 349-359
artikkel ajakirjas
2
artikkel ajakirjas EST
/
artikkel ajakirjas ENG
Investigation of the solar cell materials Cu(In,Ga)Se2 and Cu2ZnSnS4 with muon spin spectroscopy and density-functional calculations
Vilao, Rui C.
;
Marinopoulos, Apostolos G.
;
dos Santos, Diego Garcia
;
Alberto, Helena Vieira
;
Gil, Joao Campos
;
Mengyan, Patrick W.
;
Kauk-Kuusik, Marit
;
Lord, James
;
Weidinger, Alois
Journal of applied physics
2024
/
art. 055704
https://doi.org/10.1063/5.0205837
Journal metrics at Scopus
Article at Scopus
Journal metrics at WOS
Article at WOS
artikkel ajakirjas EST
/
artikkel ajakirjas ENG
3
artikkel ajakirjas EST
/
artikkel ajakirjas ENG
Isomers and conformers of complexes of Ti(OiPr)4 with cuclopentane-1,2-dione : NMR study and DFT calculations
Osadchuk, Irina
;
Pehk, Tõnis
;
Paju, Anne
;
Lopp, Margus
;
Öeren, Mario
;
Tamm, Toomas
International journal of quantum chemistry
2014
/
p. 1012-1018 : ill
https://doi.org/10.1002/qua.24619
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Article at WOS
artikkel ajakirjas EST
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artikkel ajakirjas ENG
Kirjeid leitud 3, kuvan
1 - 3
võtmesõna
296
1.
density functional theory
2.
density functional theory (DFT)
3.
time-dependent density functional theory (TD-DFT)
4.
density functional calculations
5.
A-density
6.
bimodal high-density polyethylene (HDPE) PE100
7.
complex density
8.
composite winding density control
9.
current density
10.
density
11.
density currents
12.
density dependence
13.
density distributions
14.
density forecasts
15.
Density measurement
16.
density of representation
17.
density of states
18.
Density-driven overfows
19.
direct density ratio estimation
20.
directional power spectral density
21.
dislocation density
22.
doping density
23.
electron density measurement
24.
field density in tissue
25.
high power density
26.
high-density apolipoprotein A
27.
high-density lipoprotein cholesterol
28.
hyper-branched linear low density PE
29.
Laser energy density
30.
linear heat density
31.
Linear low-density polyethylene
32.
liquid density
33.
low density areas
34.
low density polyethylene (LDPE)
35.
low-density lipoprotein
36.
low-density lipoprotein (LDL) cholesterol
37.
low-density lipoprotein cholesterol
38.
low-density lipoproteins
39.
low-density polyethylene
40.
low-density-polyethylene
41.
magnetic flux density
42.
material density
43.
medium density fibreboard (MDF) cracking
44.
modified low-density lipoproteins
45.
occupancy density
46.
oxidized low-density lipoproteins
47.
power density
48.
power spectral density
49.
probability density function
50.
projected device density of states (PDDOS)
51.
pulse density modulation
52.
relative density
53.
species density
54.
wave density spectra
55.
vertical channel density (VD)
56.
vertical link density
57.
Very-low density lipoprotein triglycerides
58.
cross-functional teams
59.
extra-functional verification
60.
FIM (functional independence measure)
61.
FIM + FAM (functional assessment measure)
62.
functional diversity
63.
functional approximation
64.
functional biomaterials
65.
functional BIST
66.
functional capacity of cooperation
67.
functional capacity of integration
68.
functional complexes
69.
functional components
70.
functional connectivity
71.
functional data analysis
72.
functional derating
73.
functional de-rating
74.
functional dispersion
75.
functional diversity
76.
functional equivalence principle
77.
Functional Failure Rate (FFR)
78.
functional fault model
79.
functional food
80.
functional food ingredients
81.
functional gene analysis
82.
functional groups
83.
functional imaging
84.
functional institutional analysis
85.
functional ionic liquids
86.
functional iteration
87.
functional material
88.
functional materials
89.
functional models
90.
functional morphology
91.
functional polymer
92.
functional power plants
93.
functional power-plants
94.
functional prediction
95.
functional profiling
96.
functional programming
97.
functional properties
98.
functional reactive programming
99.
functional recovery
100.
functional requirements
101.
functional safety
102.
functional self-test
103.
functional smoothie
104.
Functional specialist in AI for public services
105.
functional state of the muscles -tiredness
106.
functional stress programs
107.
functional test generation
108.
functional trait diversity
109.
functional unit definition
110.
functional verification
111.
functional-safety
112.
high-level functional fault model
113.
hybrid functional
114.
mathematical structures in functional programming
115.
non-robust and functional sensitization
116.
non-robust and functional sensitization of delay faults
117.
plant-functional types
118.
protein techno-functional properties
119.
size of functional groups
120.
techno-functional properties
121.
a coherent theory of proofs
122.
activity theory
123.
adaptive structuration theory (AST)
124.
algebraic number theory
125.
algebraic theory
126.
algorithm design and theory
127.
beam theory
128.
behavioral reasoning theory
129.
bicategory theory
130.
Biot theory
131.
Bond theory
132.
Boolean Algebra Meets Graph-Theory
133.
catastrophe theory
134.
category theory
135.
chaos theory
136.
coding theory
137.
cognitive theory
138.
commitment theory
139.
communication channels (information theory)
140.
Complex systems theory
141.
complexity leadership theory
142.
complexity theory
143.
computation theory
144.
computer softwaregraph theory
145.
conservation of resources theory
146.
consumer culture theory
147.
control and systems theory
148.
control theory
149.
Cooper-Helmstetter cell cycle theory
150.
cosmology theory
151.
cosmology: theory
152.
critical theory of technology
153.
cultural theory of international relations
154.
dark matter theory
155.
decision theory
156.
Dempster-Shafer theory
157.
Demster-Shafer Theory
158.
dependent type theory
159.
design theory
160.
Dezert–Smarandache theory
161.
development theory
162.
Digital Government Theory: Development and Application
163.
dispersive theory
164.
domain theory
165.
dual-process theory
166.
Dynamic capability theory
167.
dynamic social impact theory (DSIT)
168.
ecological systems theory
169.
economic theory
170.
end of theory
171.
energetic impact theory
172.
engaged theory
173.
enriched category theory
174.
Euler Bernoulli beams theory
175.
evolutionary theory of policy capacity
176.
Flow theory
177.
formal category theory
178.
formal language theory
179.
fully nonlinear potential theory
180.
game theory
181.
general systems theory
182.
general theory of information transfer
183.
general vibration theory
184.
graph theory
185.
gravitational waves / theory
186.
grounded theory
187.
group theory
188.
group threat theory
189.
higher-order beam theory
190.
History and Theory
191.
homotopy theory
192.
homotopy type theory
193.
housemoney effect prospect theory
194.
iceberg theory of culture
195.
image theory
196.
information theory
197.
innovation theory
198.
institutional theory
199.
intellectual capital theory
200.
interdependence theory
201.
inverse problem theory/applications
202.
inverse problems theory/applications
203.
job search theory
204.
language theory
205.
Lawvere theory
206.
layer-wise displacement theory
207.
linear systems theory
208.
macro-foundational theory
209.
maritime investment theory
210.
mechanism design theory
211.
meso-foundational theory
212.
micro-foundational theory
213.
middle-range theory
214.
mindlin plate theory
215.
modern portfolio theory
216.
network theory
217.
nonlinear shallow water theory
218.
nonlinear shallow-water theory
219.
nonlinear strip theory
220.
nonlinear theory
221.
normal torsion theory
222.
number theory
223.
organismic integration theory
224.
organization theory
225.
organizational theory
226.
peer‐to‐peer theory
227.
perceived customer value theory
228.
phase field theory
229.
picture theory
230.
protection motivation theory
231.
proto-theory of design
232.
public administration theory
233.
punctuated equilibrium theory
234.
quantum theory
235.
rational choice theory
236.
real options theory
237.
realization theory
238.
reduction theory
239.
refined zigzag theory
240.
regulatory focus theory
241.
sampling theory
242.
scapegoat theory
243.
search and matching theory
244.
self-determination theory
245.
self-determination theory of work motivation
246.
set theory
247.
shallow water theory
248.
shallow‐water theory
249.
sign theory
250.
signalling theory
251.
social exchange theory
252.
social identity theory
253.
social practice theory
254.
social presence theory
255.
social representation theory
256.
social system theory
257.
social systems theory
258.
sociological curriculum theory
259.
S-O-R theory
260.
speech-act theory
261.
stakeholder theory
262.
Stakeholder-oriented decision theory
263.
State Theory
264.
stimulus-organism-response theory
265.
stochastic learning theory
266.
strategic narrative theory
267.
strategic narrative theory
268.
Straussian theory model
269.
structuration theory
270.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
271.
switching theory
272.
synchronous reference frame theory
273.
system theory
274.
systems theory
275.
the RAT theory
276.
theory
277.
theory and practice of meta-modelling with application in healthcare
278.
theory building
279.
theory of accounting
280.
Theory of computation
281.
Theory Of Constraints (TOC)
282.
theory of economic development
283.
theory of inventive problem solving (TRIZ)
284.
theory of natural disaster
285.
Theory of paradox
286.
theory of planned behavior
287.
theory of planned behaviour
288.
theory of signs
289.
theory of value
290.
theory selection
291.
ticked cubical type theory
292.
type theory
293.
unified theory of acceptance and use of technology
294.
value theory
295.
virtual disc theory
296.
2D+T theory
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