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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
282
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 of representation
16.
density of states
17.
Density-driven overfows
18.
direct density ratio estimation
19.
directional power spectral density
20.
dislocation density
21.
doping density
22.
electron density measurement
23.
field density in tissue
24.
high power density
25.
high-density apolipoprotein A
26.
high-density lipoprotein cholesterol
27.
hyper-branched linear low density PE
28.
Laser energy density
29.
linear heat density
30.
Linear low-density polyethylene
31.
liquid density
32.
low density areas
33.
low density polyethylene (LDPE)
34.
low-density lipoprotein
35.
low-density lipoprotein (LDL) cholesterol
36.
low-density lipoprotein cholesterol
37.
low-density polyethylene
38.
low-density-polyethylene
39.
magnetic flux density
40.
material density
41.
medium density fibreboard (MDF) cracking
42.
modified low-density lipoproteins
43.
oxidized low-density lipoproteins
44.
power density
45.
power spectral density
46.
probability density function
47.
projected device density of states (PDDOS)
48.
relative density
49.
species density
50.
wave density spectra
51.
vertical channel density (VD)
52.
vertical link density
53.
Very-low density lipoprotein triglycerides
54.
cross-functional teams
55.
extra-functional verification
56.
FIM (functional independence measure)
57.
FIM + FAM (functional assessment measure)
58.
functional diversity
59.
functional approximation
60.
functional biomaterials
61.
functional BIST
62.
functional capacity of cooperation
63.
functional capacity of integration
64.
functional complexes
65.
functional components
66.
functional connectivity
67.
functional data analysis
68.
functional derating
69.
functional de-rating
70.
functional dispersion
71.
functional diversity
72.
functional equivalence principle
73.
Functional Failure Rate (FFR)
74.
functional fault model
75.
functional food
76.
functional food ingredients
77.
functional gene analysis
78.
functional groups
79.
functional institutional analysis
80.
functional ionic liquids
81.
functional iteration
82.
functional material
83.
functional materials
84.
functional models
85.
functional morphology
86.
functional polymer
87.
functional power plants
88.
functional power-plants
89.
functional prediction
90.
functional profiling
91.
functional properties
92.
functional reactive programming
93.
functional recovery
94.
functional requirements
95.
functional safety
96.
functional self-test
97.
functional smoothie
98.
Functional specialist in AI for public services
99.
functional state of the muscles -tiredness
100.
functional stress programs
101.
functional test generation
102.
functional trait diversity
103.
functional verification
104.
functional-safety
105.
high-level functional fault model
106.
hybrid functional
107.
mathematical structures in functional programming
108.
non-robust and functional sensitization
109.
non-robust and functional sensitization of delay faults
110.
plant-functional types
111.
size of functional groups
112.
a coherent theory of proofs
113.
activity theory
114.
adaptive structuration theory (AST)
115.
algebraic number theory
116.
algebraic theory
117.
algorithm design and theory
118.
beam theory
119.
behavioral reasoning theory
120.
bicategory theory
121.
Biot theory
122.
Bond theory
123.
Boolean Algebra Meets Graph-Theory
124.
catastrophe theory
125.
category theory
126.
chaos theory
127.
coding theory
128.
cognitive theory
129.
commitment theory
130.
communication channels (information theory)
131.
Complex systems theory
132.
complexity leadership theory
133.
complexity theory
134.
computation theory
135.
computer softwaregraph theory
136.
conservation of resources theory
137.
Consumer Culture Theory
138.
control and systems theory
139.
control theory
140.
Cooper-Helmstetter cell cycle theory
141.
cosmology theory
142.
cosmology: theory
143.
critical theory of technology
144.
cultural theory of international relations
145.
dark matter theory
146.
decision theory
147.
Dempster-Shafer theory
148.
Demster-Shafer Theory
149.
dependent type theory
150.
design theory
151.
development theory
152.
Digital Government Theory: Development and Application
153.
dispersive theory
154.
domain theory
155.
ecological systems theory
156.
economic theory
157.
end of theory
158.
energetic impact theory
159.
engaged theory
160.
enriched category theory
161.
Euler Bernoulli beams theory
162.
evolutionary theory of policy capacity
163.
Flow theory
164.
formal category theory
165.
formal language theory
166.
fully nonlinear potential theory
167.
game theory
168.
general systems theory
169.
general theory of information transfer
170.
general vibration theory
171.
graph theory
172.
gravitational waves / theory
173.
grounded theory
174.
group theory
175.
group threat theory
176.
higher-order beam theory
177.
History and Theory
178.
homotopy theory
179.
homotopy type theory
180.
housemoney effect prospect theory
181.
iceberg theory of culture
182.
image theory
183.
information theory
184.
innovation theory
185.
institutional theory
186.
intellectual capital theory
187.
interdependence theory
188.
inverse problem theory/applications
189.
inverse problems theory/applications
190.
job search theory
191.
language theory
192.
Lawvere theory
193.
layer-wise displacement theory
194.
linear systems theory
195.
macro-foundational theory
196.
maritime investment theory
197.
mechanism design theory
198.
meso-foundational theory
199.
micro-foundational theory
200.
middle-range theory
201.
mindlin plate theory
202.
modern portfolio theory
203.
network theory
204.
nonlinear shallow water theory
205.
nonlinear shallow-water theory
206.
nonlinear strip theory
207.
nonlinear theory
208.
normal torsion theory
209.
number theory
210.
organismic integration theory
211.
organization theory
212.
organizational theory
213.
peer‐to‐peer theory
214.
perceived customer value theory
215.
phase field theory
216.
picture theory
217.
protection motivation theory
218.
proto-theory of design
219.
public administration theory
220.
punctuated equilibrium theory
221.
rational choice theory
222.
real options theory
223.
realization theory
224.
reduction theory
225.
refined zigzag theory
226.
regulatory focus theory
227.
sampling theory
228.
scapegoat theory
229.
search and matching theory
230.
self-determination theory
231.
self-determination theory of work motivation
232.
set theory
233.
shallow water theory
234.
shallow‐water theory
235.
sign theory
236.
signalling theory
237.
social exchange theory
238.
social identity theory
239.
social practice theory
240.
social presence theory
241.
social representation theory
242.
social system theory
243.
social systems theory
244.
sociological curriculum theory
245.
S-O-R theory
246.
speech-act theory
247.
stakeholder theory
248.
Stakeholder-oriented decision theory
249.
State Theory
250.
stimulus-organism-response theory
251.
stochastic learning theory
252.
strategic narrative theory
253.
strategic narrative theory
254.
Straussian theory model
255.
structuration theory
256.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
257.
switching theory
258.
synchronous reference frame theory
259.
system theory
260.
systems theory
261.
the RAT theory
262.
theory
263.
theory and practice of meta-modelling with application in healthcare
264.
theory building
265.
theory of accounting
266.
Theory of computation
267.
Theory Of Constraints (TOC)
268.
theory of economic development
269.
theory of inventive problem solving (TRIZ)
270.
theory of natural disaster
271.
Theory of paradox
272.
theory of planned behavior
273.
theory of planned behaviour
274.
theory of signs
275.
theory of value
276.
theory selection
277.
ticked cubical type theory
278.
type theory
279.
unified theory of acceptance and use of technology
280.
value theory
281.
virtual disc theory
282.
2D+T theory
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