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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
276
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 gene analysis
77.
functional groups
78.
functional institutional analysis
79.
functional ionic liquids
80.
functional iteration
81.
functional material
82.
functional materials
83.
functional models
84.
functional morphology
85.
functional polymer
86.
functional power plants
87.
functional power-plants
88.
functional prediction
89.
functional profiling
90.
functional properties
91.
functional reactive programming
92.
functional recovery
93.
functional requirements
94.
functional safety
95.
functional self-test
96.
functional smoothie
97.
Functional specialist in AI for public services
98.
functional state of the muscles -tiredness
99.
functional stress programs
100.
functional test generation
101.
functional trait diversity
102.
functional verification
103.
functional-safety
104.
high-level functional fault model
105.
hybrid functional
106.
mathematical structures in functional programming
107.
non-robust and functional sensitization
108.
non-robust and functional sensitization of delay faults
109.
plant-functional types
110.
size of functional groups
111.
a coherent theory of proofs
112.
activity theory
113.
adaptive structuration theory (AST)
114.
algebraic number theory
115.
algebraic theory
116.
algorithm design and theory
117.
beam theory
118.
behavioral reasoning theory
119.
bicategory theory
120.
Bond theory
121.
Boolean Algebra Meets Graph-Theory
122.
catastrophe theory
123.
category theory
124.
chaos theory
125.
coding theory
126.
cognitive theory
127.
commitment theory
128.
communication channels (information theory)
129.
Complex systems theory
130.
complexity leadership theory
131.
complexity theory
132.
computation theory
133.
computer softwaregraph theory
134.
conservation of resources theory
135.
Consumer Culture Theory
136.
control theory
137.
Cooper-Helmstetter cell cycle theory
138.
cosmology theory
139.
cosmology: theory
140.
critical theory of technology
141.
cultural theory of international relations
142.
dark matter theory
143.
decision theory
144.
Dempster-Shafer theory
145.
Demster-Shafer Theory
146.
dependent type theory
147.
design theory
148.
development theory
149.
Digital Government Theory: Development and Application
150.
dispersive theory
151.
domain theory
152.
ecological systems theory
153.
economic theory
154.
end of theory
155.
energetic impact theory
156.
enriched category theory
157.
Euler Bernoulli beams theory
158.
evolutionary theory of policy capacity
159.
Flow theory
160.
formal category theory
161.
formal language theory
162.
fully nonlinear potential theory
163.
game theory
164.
general systems theory
165.
general theory of information transfer
166.
general vibration theory
167.
graph theory
168.
gravitational waves / theory
169.
grounded theory
170.
group theory
171.
group threat theory
172.
higher-order beam theory
173.
History and Theory
174.
homotopy theory
175.
homotopy type theory
176.
housemoney effect prospect theory
177.
iceberg theory of culture
178.
image theory
179.
information theory
180.
innovation theory
181.
institutional theory
182.
intellectual capital theory
183.
interdependence theory
184.
inverse problem theory/applications
185.
inverse problems theory/applications
186.
job search theory
187.
language theory
188.
Lawvere theory
189.
layer-wise displacement theory
190.
linear systems theory
191.
macro-foundational theory
192.
maritime investment theory
193.
mechanism design theory
194.
meso-foundational theory
195.
micro-foundational theory
196.
middle-range theory
197.
mindlin plate theory
198.
modern portfolio theory
199.
network theory
200.
nonlinear shallow water theory
201.
nonlinear shallow-water theory
202.
nonlinear strip theory
203.
nonlinear theory
204.
normal torsion theory
205.
number theory
206.
organization theory
207.
organizational theory
208.
peer‐to‐peer theory
209.
perceived customer value theory
210.
phase field theory
211.
picture theory
212.
protection motivation theory
213.
proto-theory of design
214.
punctuated equilibrium theory
215.
rational choice theory
216.
real options theory
217.
realization theory
218.
reduction theory
219.
refined zigzag theory
220.
regulatory focus theory
221.
sampling theory
222.
scapegoat theory
223.
search and matching theory
224.
self-determination theory
225.
self-determination theory of work motivation
226.
set theory
227.
shallow water theory
228.
shallow‐water theory
229.
sign theory
230.
signalling theory
231.
social exchange theory
232.
social identity theory
233.
social practice theory
234.
social presence theory
235.
social representation theory
236.
social system theory
237.
social systems theory
238.
sociological curriculum theory
239.
S-O-R theory
240.
speech-act theory
241.
stakeholder theory
242.
Stakeholder-oriented decision theory
243.
State Theory
244.
stimulus-organism-response theory
245.
stochastic learning theory
246.
strategic narrative theory
247.
strategic narrative theory
248.
Straussian theory model
249.
structuration theory
250.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
251.
switching theory
252.
synchronous reference frame theory
253.
system theory
254.
systems theory
255.
the RAT theory
256.
theory
257.
theory and practice of meta-modelling with application in healthcare
258.
theory building
259.
theory of accounting
260.
Theory of computation
261.
Theory Of Constraints (TOC)
262.
theory of economic development
263.
theory of inventive problem solving (TRIZ)
264.
theory of natural disaster
265.
Theory of paradox
266.
theory of planned behavior
267.
theory of planned behaviour
268.
theory of signs
269.
theory of value
270.
theory selection
271.
ticked cubical type theory
272.
type theory
273.
unified theory of acceptance and use of technology
274.
value theory
275.
virtual disc theory
276.
2D+T theory
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