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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
/
artikkel ajakirjas ENG
Kirjeid leitud 3, kuvan
1 - 3
võtmesõna
295
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.
size of functional groups
119.
techno-functional properties
120.
a coherent theory of proofs
121.
activity theory
122.
adaptive structuration theory (AST)
123.
algebraic number theory
124.
algebraic theory
125.
algorithm design and theory
126.
beam theory
127.
behavioral reasoning theory
128.
bicategory theory
129.
Biot theory
130.
Bond theory
131.
Boolean Algebra Meets Graph-Theory
132.
catastrophe theory
133.
category theory
134.
chaos theory
135.
coding theory
136.
cognitive theory
137.
commitment theory
138.
communication channels (information theory)
139.
Complex systems theory
140.
complexity leadership theory
141.
complexity theory
142.
computation theory
143.
computer softwaregraph theory
144.
conservation of resources theory
145.
consumer culture theory
146.
control and systems theory
147.
control theory
148.
Cooper-Helmstetter cell cycle theory
149.
cosmology theory
150.
cosmology: theory
151.
critical theory of technology
152.
cultural theory of international relations
153.
dark matter theory
154.
decision theory
155.
Dempster-Shafer theory
156.
Demster-Shafer Theory
157.
dependent type theory
158.
design theory
159.
Dezert–Smarandache theory
160.
development theory
161.
Digital Government Theory: Development and Application
162.
dispersive theory
163.
domain theory
164.
dual-process theory
165.
Dynamic capability theory
166.
dynamic social impact theory (DSIT)
167.
ecological systems theory
168.
economic theory
169.
end of theory
170.
energetic impact theory
171.
engaged theory
172.
enriched category theory
173.
Euler Bernoulli beams theory
174.
evolutionary theory of policy capacity
175.
Flow theory
176.
formal category theory
177.
formal language theory
178.
fully nonlinear potential theory
179.
game theory
180.
general systems theory
181.
general theory of information transfer
182.
general vibration theory
183.
graph theory
184.
gravitational waves / theory
185.
grounded theory
186.
group theory
187.
group threat theory
188.
higher-order beam theory
189.
History and Theory
190.
homotopy theory
191.
homotopy type theory
192.
housemoney effect prospect theory
193.
iceberg theory of culture
194.
image theory
195.
information theory
196.
innovation theory
197.
institutional theory
198.
intellectual capital theory
199.
interdependence theory
200.
inverse problem theory/applications
201.
inverse problems theory/applications
202.
job search theory
203.
language theory
204.
Lawvere theory
205.
layer-wise displacement theory
206.
linear systems theory
207.
macro-foundational theory
208.
maritime investment theory
209.
mechanism design theory
210.
meso-foundational theory
211.
micro-foundational theory
212.
middle-range theory
213.
mindlin plate theory
214.
modern portfolio theory
215.
network theory
216.
nonlinear shallow water theory
217.
nonlinear shallow-water theory
218.
nonlinear strip theory
219.
nonlinear theory
220.
normal torsion theory
221.
number theory
222.
organismic integration theory
223.
organization theory
224.
organizational theory
225.
peer‐to‐peer theory
226.
perceived customer value theory
227.
phase field theory
228.
picture theory
229.
protection motivation theory
230.
proto-theory of design
231.
public administration theory
232.
punctuated equilibrium theory
233.
quantum theory
234.
rational choice theory
235.
real options theory
236.
realization theory
237.
reduction theory
238.
refined zigzag theory
239.
regulatory focus theory
240.
sampling theory
241.
scapegoat theory
242.
search and matching theory
243.
self-determination theory
244.
self-determination theory of work motivation
245.
set theory
246.
shallow water theory
247.
shallow‐water theory
248.
sign theory
249.
signalling theory
250.
social exchange theory
251.
social identity theory
252.
social practice theory
253.
social presence theory
254.
social representation theory
255.
social system theory
256.
social systems theory
257.
sociological curriculum theory
258.
S-O-R theory
259.
speech-act theory
260.
stakeholder theory
261.
Stakeholder-oriented decision theory
262.
State Theory
263.
stimulus-organism-response theory
264.
stochastic learning theory
265.
strategic narrative theory
266.
strategic narrative theory
267.
Straussian theory model
268.
structuration theory
269.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
270.
switching theory
271.
synchronous reference frame theory
272.
system theory
273.
systems theory
274.
the RAT theory
275.
theory
276.
theory and practice of meta-modelling with application in healthcare
277.
theory building
278.
theory of accounting
279.
Theory of computation
280.
Theory Of Constraints (TOC)
281.
theory of economic development
282.
theory of inventive problem solving (TRIZ)
283.
theory of natural disaster
284.
Theory of paradox
285.
theory of planned behavior
286.
theory of planned behaviour
287.
theory of signs
288.
theory of value
289.
theory selection
290.
ticked cubical type theory
291.
type theory
292.
unified theory of acceptance and use of technology
293.
value theory
294.
virtual disc theory
295.
2D+T theory
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