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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
Journal metrics at Scopus
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Article at WOS
artikkel ajakirjas EST
/
artikkel ajakirjas ENG
Kirjeid leitud 3, kuvan
1 - 3
võtmesõna
285
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 polyethylene
39.
low-density-polyethylene
40.
magnetic flux density
41.
material density
42.
medium density fibreboard (MDF) cracking
43.
modified low-density lipoproteins
44.
occupancy density
45.
oxidized low-density lipoproteins
46.
power density
47.
power spectral density
48.
probability density function
49.
projected device density of states (PDDOS)
50.
relative density
51.
species density
52.
wave density spectra
53.
vertical channel density (VD)
54.
vertical link density
55.
Very-low density lipoprotein triglycerides
56.
cross-functional teams
57.
extra-functional verification
58.
FIM (functional independence measure)
59.
FIM + FAM (functional assessment measure)
60.
functional diversity
61.
functional approximation
62.
functional biomaterials
63.
functional BIST
64.
functional capacity of cooperation
65.
functional capacity of integration
66.
functional complexes
67.
functional components
68.
functional connectivity
69.
functional data analysis
70.
functional derating
71.
functional de-rating
72.
functional dispersion
73.
functional diversity
74.
functional equivalence principle
75.
Functional Failure Rate (FFR)
76.
functional fault model
77.
functional food
78.
functional food ingredients
79.
functional gene analysis
80.
functional groups
81.
functional institutional analysis
82.
functional ionic liquids
83.
functional iteration
84.
functional material
85.
functional materials
86.
functional models
87.
functional morphology
88.
functional polymer
89.
functional power plants
90.
functional power-plants
91.
functional prediction
92.
functional profiling
93.
functional properties
94.
functional reactive programming
95.
functional recovery
96.
functional requirements
97.
functional safety
98.
functional self-test
99.
functional smoothie
100.
Functional specialist in AI for public services
101.
functional state of the muscles -tiredness
102.
functional stress programs
103.
functional test generation
104.
functional trait diversity
105.
functional verification
106.
functional-safety
107.
high-level functional fault model
108.
hybrid functional
109.
mathematical structures in functional programming
110.
non-robust and functional sensitization
111.
non-robust and functional sensitization of delay faults
112.
plant-functional types
113.
size of functional groups
114.
a coherent theory of proofs
115.
activity theory
116.
adaptive structuration theory (AST)
117.
algebraic number theory
118.
algebraic theory
119.
algorithm design and theory
120.
beam theory
121.
behavioral reasoning theory
122.
bicategory theory
123.
Biot theory
124.
Bond theory
125.
Boolean Algebra Meets Graph-Theory
126.
catastrophe theory
127.
category theory
128.
chaos theory
129.
coding theory
130.
cognitive theory
131.
commitment theory
132.
communication channels (information theory)
133.
Complex systems theory
134.
complexity leadership theory
135.
complexity theory
136.
computation theory
137.
computer softwaregraph theory
138.
conservation of resources theory
139.
Consumer Culture Theory
140.
control and systems theory
141.
control theory
142.
Cooper-Helmstetter cell cycle theory
143.
cosmology theory
144.
cosmology: theory
145.
critical theory of technology
146.
cultural theory of international relations
147.
dark matter theory
148.
decision theory
149.
Dempster-Shafer theory
150.
Demster-Shafer Theory
151.
dependent type theory
152.
design theory
153.
Dezert–Smarandache theory
154.
development theory
155.
Digital Government Theory: Development and Application
156.
dispersive theory
157.
domain theory
158.
ecological systems theory
159.
economic theory
160.
end of theory
161.
energetic impact theory
162.
engaged theory
163.
enriched category theory
164.
Euler Bernoulli beams theory
165.
evolutionary theory of policy capacity
166.
Flow theory
167.
formal category theory
168.
formal language theory
169.
fully nonlinear potential theory
170.
game theory
171.
general systems theory
172.
general theory of information transfer
173.
general vibration theory
174.
graph theory
175.
gravitational waves / theory
176.
grounded theory
177.
group theory
178.
group threat theory
179.
higher-order beam theory
180.
History and Theory
181.
homotopy theory
182.
homotopy type theory
183.
housemoney effect prospect theory
184.
iceberg theory of culture
185.
image theory
186.
information theory
187.
innovation theory
188.
institutional theory
189.
intellectual capital theory
190.
interdependence theory
191.
inverse problem theory/applications
192.
inverse problems theory/applications
193.
job search theory
194.
language theory
195.
Lawvere theory
196.
layer-wise displacement theory
197.
linear systems theory
198.
macro-foundational theory
199.
maritime investment theory
200.
mechanism design theory
201.
meso-foundational theory
202.
micro-foundational theory
203.
middle-range theory
204.
mindlin plate theory
205.
modern portfolio theory
206.
network theory
207.
nonlinear shallow water theory
208.
nonlinear shallow-water theory
209.
nonlinear strip theory
210.
nonlinear theory
211.
normal torsion theory
212.
number theory
213.
organismic integration theory
214.
organization theory
215.
organizational theory
216.
peer‐to‐peer theory
217.
perceived customer value theory
218.
phase field theory
219.
picture theory
220.
protection motivation theory
221.
proto-theory of design
222.
public administration theory
223.
punctuated equilibrium theory
224.
rational choice theory
225.
real options theory
226.
realization theory
227.
reduction theory
228.
refined zigzag theory
229.
regulatory focus theory
230.
sampling theory
231.
scapegoat theory
232.
search and matching theory
233.
self-determination theory
234.
self-determination theory of work motivation
235.
set theory
236.
shallow water theory
237.
shallow‐water theory
238.
sign theory
239.
signalling theory
240.
social exchange theory
241.
social identity theory
242.
social practice theory
243.
social presence theory
244.
social representation theory
245.
social system theory
246.
social systems theory
247.
sociological curriculum theory
248.
S-O-R theory
249.
speech-act theory
250.
stakeholder theory
251.
Stakeholder-oriented decision theory
252.
State Theory
253.
stimulus-organism-response theory
254.
stochastic learning theory
255.
strategic narrative theory
256.
strategic narrative theory
257.
Straussian theory model
258.
structuration theory
259.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
260.
switching theory
261.
synchronous reference frame theory
262.
system theory
263.
systems theory
264.
the RAT theory
265.
theory
266.
theory and practice of meta-modelling with application in healthcare
267.
theory building
268.
theory of accounting
269.
Theory of computation
270.
Theory Of Constraints (TOC)
271.
theory of economic development
272.
theory of inventive problem solving (TRIZ)
273.
theory of natural disaster
274.
Theory of paradox
275.
theory of planned behavior
276.
theory of planned behaviour
277.
theory of signs
278.
theory of value
279.
theory selection
280.
ticked cubical type theory
281.
type theory
282.
unified theory of acceptance and use of technology
283.
value theory
284.
virtual disc theory
285.
2D+T theory
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