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density functional theory (võtmesõna)
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1
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
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
artikkel ajakirjas
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
Article at Scopus
Journal metrics at WOS
Article at WOS
artikkel ajakirjas EST
/
artikkel ajakirjas ENG
Kirjeid leitud 3, kuvan
1 - 3
võtmesõna
264
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-driven overfows
17.
direct density ratio estimation
18.
directional power spectral density
19.
dislocation density
20.
doping density
21.
electron density measurement
22.
field density in tissue
23.
high-density apolipoprotein A
24.
high-density lipoprotein cholesterol
25.
hyper-branched linear low density PE
26.
linear heat density
27.
Linear low-density polyethylene
28.
liquid density
29.
low density areas
30.
low density polyethylene (LDPE)
31.
low-density lipoprotein
32.
low-density lipoprotein (LDL) cholesterol
33.
low-density lipoprotein cholesterol
34.
low-density polyethylene
35.
low-density-polyethylene
36.
magnetic flux density
37.
material density
38.
medium density fibreboard (MDF) cracking
39.
modified low-density lipoproteins
40.
oxidized low-density lipoproteins
41.
power density
42.
power spectral density
43.
probability density function
44.
projected device density of states (PDDOS)
45.
relative density
46.
species density
47.
wave density spectra
48.
vertical channel density (VD)
49.
vertical link density
50.
Very-low density lipoprotein triglycerides
51.
cross-functional teams
52.
extra-functional verification
53.
FIM (functional independence measure)
54.
FIM + FAM (functional assessment measure)
55.
functional diversity
56.
functional approximation
57.
functional biomaterials
58.
functional BIST
59.
functional capacity of cooperation
60.
functional capacity of integration
61.
functional complexes
62.
functional components
63.
functional connectivity
64.
functional data analysis
65.
functional derating
66.
functional de-rating
67.
functional dispersion
68.
functional diversity
69.
functional equivalence principle
70.
Functional Failure Rate (FFR)
71.
functional fault model
72.
functional food
73.
functional gene analysis
74.
functional groups
75.
functional institutional analysis
76.
functional ionic liquids
77.
functional iteration
78.
functional material
79.
functional materials
80.
functional models
81.
functional morphology
82.
functional polymer
83.
functional power plants
84.
functional power-plants
85.
functional prediction
86.
functional profiling
87.
functional properties
88.
functional reactive programming
89.
functional recovery
90.
functional requirements
91.
functional safety
92.
functional self-test
93.
functional smoothie
94.
Functional specialist in AI for public services
95.
functional state of the muscles -tiredness
96.
functional stress programs
97.
functional test generation
98.
functional trait diversity
99.
functional verification
100.
functional-safety
101.
high-level functional fault model
102.
hybrid functional
103.
mathematical structures in functional programming
104.
non-robust and functional sensitization
105.
non-robust and functional sensitization of delay faults
106.
plant-functional types
107.
size of functional groups
108.
a coherent theory of proofs
109.
activity theory
110.
adaptive structuration theory (AST)
111.
algebraic number theory
112.
algebraic theory
113.
algorithm design and theory
114.
beam theory
115.
behavioral reasoning theory
116.
bicategory theory
117.
Boolean Algebra Meets Graph-Theory
118.
catastrophe theory
119.
category theory
120.
chaos theory
121.
coding theory
122.
cognitive theory
123.
commitment theory
124.
communication channels (information theory)
125.
complexity leadership theory
126.
complexity theory
127.
computation theory
128.
computer softwaregraph theory
129.
conservation of resources theory
130.
Consumer Culture Theory
131.
control theory
132.
Cooper-Helmstetter cell cycle theory
133.
cosmology: theory
134.
critical theory of technology
135.
cultural theory of international relations
136.
dark matter theory
137.
decision theory
138.
Dempster-Shafer theory
139.
Demster-Shafer Theory
140.
dependent type theory
141.
design theory
142.
development theory
143.
Digital Government Theory: Development and Application
144.
dispersive theory
145.
domain theory
146.
ecological systems theory
147.
economic theory
148.
end of theory
149.
energetic impact theory
150.
enriched category theory
151.
Euler Bernoulli beams theory
152.
evolutionary theory of policy capacity
153.
Flow theory
154.
formal category theory
155.
formal language theory
156.
fully nonlinear potential theory
157.
game theory
158.
general systems theory
159.
general theory of information transfer
160.
general vibration theory
161.
graph theory
162.
gravitational waves / theory
163.
grounded theory
164.
group theory
165.
group threat theory
166.
higher-order beam theory
167.
History and Theory
168.
homotopy theory
169.
homotopy type theory
170.
housemoney effect prospect theory
171.
iceberg theory of culture
172.
image theory
173.
information theory
174.
innovation theory
175.
institutional theory
176.
intellectual capital theory
177.
interdependence theory
178.
inverse problem theory/applications
179.
inverse problems theory/applications
180.
job search theory
181.
Lawvere theory
182.
layer-wise displacement theory
183.
linear systems theory
184.
maritime investment theory
185.
mechanism design theory
186.
middle-range theory
187.
modern portfolio theory
188.
network theory
189.
nonlinear shallow water theory
190.
nonlinear shallow-water theory
191.
nonlinear strip theory
192.
nonlinear theory
193.
normal torsion theory
194.
number theory
195.
organization theory
196.
organizational theory
197.
peer‐to‐peer theory
198.
perceived customer value theory
199.
phase field theory
200.
picture theory
201.
protection motivation theory
202.
proto-theory of design
203.
punctuated equilibrium theory
204.
rational choice theory
205.
real options theory
206.
realization theory
207.
reduction theory
208.
refined zigzag theory
209.
regulatory focus theory
210.
sampling theory
211.
scapegoat theory
212.
search and matching theory
213.
self-determination theory
214.
self-determination theory of work motivation
215.
set theory
216.
shallow water theory
217.
shallow‐water theory
218.
sign theory
219.
signalling theory
220.
social exchange theory
221.
social identity theory
222.
social practice theory
223.
social presence theory
224.
social representation theory
225.
social system theory
226.
social systems theory
227.
sociological curriculum theory
228.
S-O-R theory
229.
speech-act theory
230.
stakeholder theory
231.
Stakeholder-oriented decision theory
232.
State Theory
233.
stimulus-organism-response theory
234.
stochastic learning theory
235.
strategic narrative theory
236.
strategic narrative theory
237.
Straussian theory model
238.
structuration theory
239.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
240.
switching theory
241.
synchronous reference frame theory
242.
system theory
243.
systems theory
244.
the RAT theory
245.
theory
246.
theory and practice of meta-modelling with application in healthcare
247.
theory building
248.
theory of accounting
249.
Theory of computation
250.
Theory Of Constraints (TOC)
251.
theory of economic development
252.
theory of inventive problem solving (TRIZ)
253.
theory of natural disaster
254.
Theory of paradox
255.
theory of planned behavior
256.
theory of planned behaviour
257.
theory of signs
258.
theory of value
259.
ticked cubical type theory
260.
type theory
261.
unified theory of acceptance and use of technology
262.
value theory
263.
virtual disc theory
264.
2D+T theory
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