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