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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
278
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.
Biot theory
121.
Bond theory
122.
Boolean Algebra Meets Graph-Theory
123.
catastrophe theory
124.
category theory
125.
chaos theory
126.
coding theory
127.
cognitive theory
128.
commitment theory
129.
communication channels (information theory)
130.
Complex systems theory
131.
complexity leadership theory
132.
complexity theory
133.
computation theory
134.
computer softwaregraph theory
135.
conservation of resources theory
136.
Consumer Culture Theory
137.
control theory
138.
Cooper-Helmstetter cell cycle theory
139.
cosmology theory
140.
cosmology: theory
141.
critical theory of technology
142.
cultural theory of international relations
143.
dark matter theory
144.
decision theory
145.
Dempster-Shafer theory
146.
Demster-Shafer Theory
147.
dependent type theory
148.
design theory
149.
development theory
150.
Digital Government Theory: Development and Application
151.
dispersive theory
152.
domain theory
153.
ecological systems theory
154.
economic theory
155.
end of theory
156.
energetic impact theory
157.
enriched category theory
158.
Euler Bernoulli beams theory
159.
evolutionary theory of policy capacity
160.
Flow theory
161.
formal category theory
162.
formal language theory
163.
fully nonlinear potential theory
164.
game theory
165.
general systems theory
166.
general theory of information transfer
167.
general vibration theory
168.
graph theory
169.
gravitational waves / theory
170.
grounded theory
171.
group theory
172.
group threat theory
173.
higher-order beam theory
174.
History and Theory
175.
homotopy theory
176.
homotopy type theory
177.
housemoney effect prospect theory
178.
iceberg theory of culture
179.
image theory
180.
information theory
181.
innovation theory
182.
institutional theory
183.
intellectual capital theory
184.
interdependence theory
185.
inverse problem theory/applications
186.
inverse problems theory/applications
187.
job search theory
188.
language theory
189.
Lawvere theory
190.
layer-wise displacement theory
191.
linear systems theory
192.
macro-foundational theory
193.
maritime investment theory
194.
mechanism design theory
195.
meso-foundational theory
196.
micro-foundational theory
197.
middle-range theory
198.
mindlin plate theory
199.
modern portfolio theory
200.
network theory
201.
nonlinear shallow water theory
202.
nonlinear shallow-water theory
203.
nonlinear strip theory
204.
nonlinear theory
205.
normal torsion theory
206.
number theory
207.
organismic integration theory
208.
organization theory
209.
organizational theory
210.
peer‐to‐peer theory
211.
perceived customer value theory
212.
phase field theory
213.
picture theory
214.
protection motivation theory
215.
proto-theory of design
216.
punctuated equilibrium theory
217.
rational choice theory
218.
real options theory
219.
realization theory
220.
reduction theory
221.
refined zigzag theory
222.
regulatory focus theory
223.
sampling theory
224.
scapegoat theory
225.
search and matching theory
226.
self-determination theory
227.
self-determination theory of work motivation
228.
set theory
229.
shallow water theory
230.
shallow‐water theory
231.
sign theory
232.
signalling theory
233.
social exchange theory
234.
social identity theory
235.
social practice theory
236.
social presence theory
237.
social representation theory
238.
social system theory
239.
social systems theory
240.
sociological curriculum theory
241.
S-O-R theory
242.
speech-act theory
243.
stakeholder theory
244.
Stakeholder-oriented decision theory
245.
State Theory
246.
stimulus-organism-response theory
247.
stochastic learning theory
248.
strategic narrative theory
249.
strategic narrative theory
250.
Straussian theory model
251.
structuration theory
252.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
253.
switching theory
254.
synchronous reference frame theory
255.
system theory
256.
systems theory
257.
the RAT theory
258.
theory
259.
theory and practice of meta-modelling with application in healthcare
260.
theory building
261.
theory of accounting
262.
Theory of computation
263.
Theory Of Constraints (TOC)
264.
theory of economic development
265.
theory of inventive problem solving (TRIZ)
266.
theory of natural disaster
267.
Theory of paradox
268.
theory of planned behavior
269.
theory of planned behaviour
270.
theory of signs
271.
theory of value
272.
theory selection
273.
ticked cubical type theory
274.
type theory
275.
unified theory of acceptance and use of technology
276.
value theory
277.
virtual disc theory
278.
2D+T theory
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