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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
/
artikkel ajakirjas ENG
Kirjeid leitud 3, kuvan
1 - 3
võtmesõna
293
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 lipoproteins
39.
low-density polyethylene
40.
low-density-polyethylene
41.
magnetic flux density
42.
material density
43.
medium density fibreboard (MDF) cracking
44.
modified low-density lipoproteins
45.
occupancy density
46.
oxidized low-density lipoproteins
47.
power density
48.
power spectral density
49.
probability density function
50.
projected device density of states (PDDOS)
51.
pulse density modulation
52.
relative density
53.
species density
54.
wave density spectra
55.
vertical channel density (VD)
56.
vertical link density
57.
Very-low density lipoprotein triglycerides
58.
cross-functional teams
59.
extra-functional verification
60.
FIM (functional independence measure)
61.
FIM + FAM (functional assessment measure)
62.
functional diversity
63.
functional approximation
64.
functional biomaterials
65.
functional BIST
66.
functional capacity of cooperation
67.
functional capacity of integration
68.
functional complexes
69.
functional components
70.
functional connectivity
71.
functional data analysis
72.
functional derating
73.
functional de-rating
74.
functional dispersion
75.
functional diversity
76.
functional equivalence principle
77.
Functional Failure Rate (FFR)
78.
functional fault model
79.
functional food
80.
functional food ingredients
81.
functional gene analysis
82.
functional groups
83.
functional imaging
84.
functional institutional analysis
85.
functional ionic liquids
86.
functional iteration
87.
functional material
88.
functional materials
89.
functional models
90.
functional morphology
91.
functional polymer
92.
functional power plants
93.
functional power-plants
94.
functional prediction
95.
functional profiling
96.
functional programming
97.
functional properties
98.
functional reactive programming
99.
functional recovery
100.
functional requirements
101.
functional safety
102.
functional self-test
103.
functional smoothie
104.
Functional specialist in AI for public services
105.
functional state of the muscles -tiredness
106.
functional stress programs
107.
functional test generation
108.
functional trait diversity
109.
functional unit definition
110.
functional verification
111.
functional-safety
112.
high-level functional fault model
113.
hybrid functional
114.
mathematical structures in functional programming
115.
non-robust and functional sensitization
116.
non-robust and functional sensitization of delay faults
117.
plant-functional types
118.
size of functional groups
119.
a coherent theory of proofs
120.
activity theory
121.
adaptive structuration theory (AST)
122.
algebraic number theory
123.
algebraic theory
124.
algorithm design and theory
125.
beam theory
126.
behavioral reasoning theory
127.
bicategory theory
128.
Biot theory
129.
Bond theory
130.
Boolean Algebra Meets Graph-Theory
131.
catastrophe theory
132.
category theory
133.
chaos theory
134.
coding theory
135.
cognitive theory
136.
commitment theory
137.
communication channels (information theory)
138.
Complex systems theory
139.
complexity leadership theory
140.
complexity theory
141.
computation theory
142.
computer softwaregraph theory
143.
conservation of resources theory
144.
consumer culture theory
145.
control and systems theory
146.
control theory
147.
Cooper-Helmstetter cell cycle theory
148.
cosmology theory
149.
cosmology: theory
150.
critical theory of technology
151.
cultural theory of international relations
152.
dark matter theory
153.
decision theory
154.
Dempster-Shafer theory
155.
Demster-Shafer Theory
156.
dependent type theory
157.
design theory
158.
Dezert–Smarandache theory
159.
development theory
160.
Digital Government Theory: Development and Application
161.
dispersive theory
162.
domain theory
163.
dual-process theory
164.
Dynamic capability theory
165.
dynamic social impact theory (DSIT)
166.
ecological systems theory
167.
economic theory
168.
end of theory
169.
energetic impact theory
170.
engaged theory
171.
enriched category theory
172.
Euler Bernoulli beams theory
173.
evolutionary theory of policy capacity
174.
Flow theory
175.
formal category theory
176.
formal language theory
177.
fully nonlinear potential theory
178.
game theory
179.
general systems theory
180.
general theory of information transfer
181.
general vibration theory
182.
graph theory
183.
gravitational waves / theory
184.
grounded theory
185.
group theory
186.
group threat theory
187.
higher-order beam theory
188.
History and Theory
189.
homotopy theory
190.
homotopy type theory
191.
housemoney effect prospect theory
192.
iceberg theory of culture
193.
image theory
194.
information theory
195.
innovation theory
196.
institutional theory
197.
intellectual capital theory
198.
interdependence theory
199.
inverse problem theory/applications
200.
inverse problems theory/applications
201.
job search theory
202.
language theory
203.
Lawvere theory
204.
layer-wise displacement theory
205.
linear systems theory
206.
macro-foundational theory
207.
maritime investment theory
208.
mechanism design theory
209.
meso-foundational theory
210.
micro-foundational theory
211.
middle-range theory
212.
mindlin plate theory
213.
modern portfolio theory
214.
network theory
215.
nonlinear shallow water theory
216.
nonlinear shallow-water theory
217.
nonlinear strip theory
218.
nonlinear theory
219.
normal torsion theory
220.
number theory
221.
organismic integration theory
222.
organization theory
223.
organizational theory
224.
peer‐to‐peer theory
225.
perceived customer value theory
226.
phase field theory
227.
picture theory
228.
protection motivation theory
229.
proto-theory of design
230.
public administration theory
231.
punctuated equilibrium theory
232.
rational choice theory
233.
real options theory
234.
realization theory
235.
reduction theory
236.
refined zigzag theory
237.
regulatory focus theory
238.
sampling theory
239.
scapegoat theory
240.
search and matching theory
241.
self-determination theory
242.
self-determination theory of work motivation
243.
set theory
244.
shallow water theory
245.
shallow‐water theory
246.
sign theory
247.
signalling theory
248.
social exchange theory
249.
social identity theory
250.
social practice theory
251.
social presence theory
252.
social representation theory
253.
social system theory
254.
social systems theory
255.
sociological curriculum theory
256.
S-O-R theory
257.
speech-act theory
258.
stakeholder theory
259.
Stakeholder-oriented decision theory
260.
State Theory
261.
stimulus-organism-response theory
262.
stochastic learning theory
263.
strategic narrative theory
264.
strategic narrative theory
265.
Straussian theory model
266.
structuration theory
267.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
268.
switching theory
269.
synchronous reference frame theory
270.
system theory
271.
systems theory
272.
the RAT theory
273.
theory
274.
theory and practice of meta-modelling with application in healthcare
275.
theory building
276.
theory of accounting
277.
Theory of computation
278.
Theory Of Constraints (TOC)
279.
theory of economic development
280.
theory of inventive problem solving (TRIZ)
281.
theory of natural disaster
282.
Theory of paradox
283.
theory of planned behavior
284.
theory of planned behaviour
285.
theory of signs
286.
theory of value
287.
theory selection
288.
ticked cubical type theory
289.
type theory
290.
unified theory of acceptance and use of technology
291.
value theory
292.
virtual disc theory
293.
2D+T theory
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