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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
297
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.
action theory
123.
activity theory
124.
adaptive structuration theory (AST)
125.
algebraic number theory
126.
algebraic theory
127.
algorithm design and theory
128.
beam theory
129.
behavioral reasoning theory
130.
bicategory theory
131.
Biot theory
132.
Bond theory
133.
Boolean Algebra Meets Graph-Theory
134.
catastrophe theory
135.
category theory
136.
chaos theory
137.
coding theory
138.
cognitive theory
139.
commitment theory
140.
communication channels (information theory)
141.
Complex systems theory
142.
complexity leadership theory
143.
complexity theory
144.
computation theory
145.
computer softwaregraph theory
146.
conservation of resources theory
147.
consumer culture theory
148.
control and systems theory
149.
control theory
150.
Cooper-Helmstetter cell cycle theory
151.
cosmology theory
152.
cosmology: theory
153.
critical theory of technology
154.
cultural theory of international relations
155.
dark matter theory
156.
decision theory
157.
Dempster-Shafer theory
158.
Demster-Shafer Theory
159.
dependent type theory
160.
design theory
161.
Dezert–Smarandache theory
162.
development theory
163.
Digital Government Theory: Development and Application
164.
dispersive theory
165.
domain theory
166.
dual-process theory
167.
Dynamic capability theory
168.
dynamic social impact theory (DSIT)
169.
ecological systems theory
170.
economic theory
171.
end of theory
172.
energetic impact theory
173.
engaged theory
174.
enriched category theory
175.
Euler Bernoulli beams theory
176.
evolutionary theory of policy capacity
177.
Flow theory
178.
formal category theory
179.
formal language theory
180.
fully nonlinear potential theory
181.
game theory
182.
general systems theory
183.
general theory of information transfer
184.
general vibration theory
185.
graph theory
186.
gravitational waves / theory
187.
grounded theory
188.
group theory
189.
group threat theory
190.
higher-order beam theory
191.
History and Theory
192.
homotopy theory
193.
homotopy type theory
194.
housemoney effect prospect theory
195.
iceberg theory of culture
196.
image theory
197.
information theory
198.
innovation theory
199.
institutional theory
200.
intellectual capital theory
201.
interdependence theory
202.
inverse problem theory/applications
203.
inverse problems theory/applications
204.
job search theory
205.
language theory
206.
Lawvere theory
207.
layer-wise displacement theory
208.
linear systems theory
209.
macro-foundational theory
210.
maritime investment theory
211.
mechanism design theory
212.
meso-foundational theory
213.
micro-foundational theory
214.
middle-range theory
215.
mindlin plate theory
216.
modern portfolio theory
217.
network theory
218.
nonlinear shallow water theory
219.
nonlinear shallow-water theory
220.
nonlinear strip theory
221.
nonlinear theory
222.
normal torsion theory
223.
number theory
224.
organismic integration theory
225.
organization theory
226.
organizational theory
227.
peer‐to‐peer theory
228.
perceived customer value theory
229.
phase field theory
230.
picture theory
231.
protection motivation theory
232.
proto-theory of design
233.
public administration theory
234.
punctuated equilibrium theory
235.
quantum theory
236.
rational choice theory
237.
real options theory
238.
realization theory
239.
reduction theory
240.
refined zigzag theory
241.
regulatory focus theory
242.
sampling theory
243.
scapegoat theory
244.
search and matching theory
245.
self-determination theory
246.
self-determination theory of work motivation
247.
set theory
248.
shallow water theory
249.
shallow‐water theory
250.
sign theory
251.
signalling theory
252.
social exchange theory
253.
social identity theory
254.
social practice theory
255.
social presence theory
256.
social representation theory
257.
social system theory
258.
social systems theory
259.
sociological curriculum theory
260.
S-O-R theory
261.
speech-act theory
262.
stakeholder theory
263.
Stakeholder-oriented decision theory
264.
State Theory
265.
stimulus-organism-response theory
266.
stochastic learning theory
267.
strategic narrative theory
268.
strategic narrative theory
269.
Straussian theory model
270.
structuration theory
271.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
272.
switching theory
273.
synchronous reference frame theory
274.
system theory
275.
systems theory
276.
the RAT theory
277.
theory
278.
theory and practice of meta-modelling with application in healthcare
279.
theory building
280.
theory of accounting
281.
Theory of computation
282.
Theory Of Constraints (TOC)
283.
theory of economic development
284.
theory of inventive problem solving (TRIZ)
285.
theory of natural disaster
286.
Theory of paradox
287.
theory of planned behavior
288.
theory of planned behaviour
289.
theory of signs
290.
theory of value
291.
theory selection
292.
ticked cubical type theory
293.
type theory
294.
unified theory of acceptance and use of technology
295.
value theory
296.
virtual disc theory
297.
2D+T theory
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