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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
281
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.
enriched category theory
160.
Euler Bernoulli beams theory
161.
evolutionary theory of policy capacity
162.
Flow theory
163.
formal category theory
164.
formal language theory
165.
fully nonlinear potential theory
166.
game theory
167.
general systems theory
168.
general theory of information transfer
169.
general vibration theory
170.
graph theory
171.
gravitational waves / theory
172.
grounded theory
173.
group theory
174.
group threat theory
175.
higher-order beam theory
176.
History and Theory
177.
homotopy theory
178.
homotopy type theory
179.
housemoney effect prospect theory
180.
iceberg theory of culture
181.
image theory
182.
information theory
183.
innovation theory
184.
institutional theory
185.
intellectual capital theory
186.
interdependence theory
187.
inverse problem theory/applications
188.
inverse problems theory/applications
189.
job search theory
190.
language theory
191.
Lawvere theory
192.
layer-wise displacement theory
193.
linear systems theory
194.
macro-foundational theory
195.
maritime investment theory
196.
mechanism design theory
197.
meso-foundational theory
198.
micro-foundational theory
199.
middle-range theory
200.
mindlin plate theory
201.
modern portfolio theory
202.
network theory
203.
nonlinear shallow water theory
204.
nonlinear shallow-water theory
205.
nonlinear strip theory
206.
nonlinear theory
207.
normal torsion theory
208.
number theory
209.
organismic integration theory
210.
organization theory
211.
organizational theory
212.
peer‐to‐peer theory
213.
perceived customer value theory
214.
phase field theory
215.
picture theory
216.
protection motivation theory
217.
proto-theory of design
218.
public administration theory
219.
punctuated equilibrium theory
220.
rational choice theory
221.
real options theory
222.
realization theory
223.
reduction theory
224.
refined zigzag theory
225.
regulatory focus theory
226.
sampling theory
227.
scapegoat theory
228.
search and matching theory
229.
self-determination theory
230.
self-determination theory of work motivation
231.
set theory
232.
shallow water theory
233.
shallow‐water theory
234.
sign theory
235.
signalling theory
236.
social exchange theory
237.
social identity theory
238.
social practice theory
239.
social presence theory
240.
social representation theory
241.
social system theory
242.
social systems theory
243.
sociological curriculum theory
244.
S-O-R theory
245.
speech-act theory
246.
stakeholder theory
247.
Stakeholder-oriented decision theory
248.
State Theory
249.
stimulus-organism-response theory
250.
stochastic learning theory
251.
strategic narrative theory
252.
strategic narrative theory
253.
Straussian theory model
254.
structuration theory
255.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
256.
switching theory
257.
synchronous reference frame theory
258.
system theory
259.
systems theory
260.
the RAT theory
261.
theory
262.
theory and practice of meta-modelling with application in healthcare
263.
theory building
264.
theory of accounting
265.
Theory of computation
266.
Theory Of Constraints (TOC)
267.
theory of economic development
268.
theory of inventive problem solving (TRIZ)
269.
theory of natural disaster
270.
Theory of paradox
271.
theory of planned behavior
272.
theory of planned behaviour
273.
theory of signs
274.
theory of value
275.
theory selection
276.
ticked cubical type theory
277.
type theory
278.
unified theory of acceptance and use of technology
279.
value theory
280.
virtual disc theory
281.
2D+T theory
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