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density functional theory (keyword)
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1
journal article
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
journal article
2
journal article
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 article
3
journal article
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
journal article
Number of records 3, displaying
1 - 3
keyword
245
1.
density functional theory
2.
density functional theory (DFT)
3.
time-dependent density functional theory (TD-DFT)
4.
density functional calculations
5.
bimodal high-density polyethylene (HDPE) PE100
6.
complex density
7.
composite winding density control
8.
current density
9.
density
10.
density currents
11.
density dependence
12.
density distributions
13.
density forecasts
14.
density of representation
15.
Density-driven overfows
16.
direct density ratio estimation
17.
directional power spectral density
18.
dislocation density
19.
doping density
20.
electron density measurement
21.
field density in tissue
22.
high-density apolipoprotein A
23.
hyper-branched linear low density PE
24.
linear heat density
25.
Linear low-density polyethylene
26.
liquid density
27.
low density areas
28.
low density polyethylene (LDPE)
29.
low-density lipoprotein
30.
low-density lipoprotein (LDL) cholesterol
31.
low-density lipoprotein cholesterol
32.
low-density polyethylene
33.
low-density-polyethylene
34.
magnetic flux density
35.
material density
36.
medium density fibreboard (MDF) cracking
37.
oxidized low-density lipoproteins
38.
power density
39.
power spectral density
40.
probability density function
41.
projected device density of states (PDDOS)
42.
relative density
43.
wave density spectra
44.
vertical channel density (VD)
45.
vertical link density
46.
extra-functional verification
47.
FIM (functional independence measure)
48.
FIM + FAM (functional assessment measure)
49.
functional diversity
50.
functional approximation
51.
functional biomaterials
52.
functional BIST
53.
functional capacity of cooperation
54.
functional capacity of integration
55.
functional complexes
56.
functional components
57.
functional connectivity
58.
functional data analysis
59.
functional derating
60.
functional de-rating
61.
functional diversity
62.
functional equivalence principle
63.
Functional Failure Rate (FFR)
64.
functional fault model
65.
functional food
66.
functional gene analysis
67.
functional groups
68.
functional institutional analysis
69.
functional ionic liquids
70.
functional iteration
71.
functional material
72.
functional materials
73.
functional models
74.
functional morphology
75.
functional polymer
76.
functional power plants
77.
functional power-plants
78.
functional prediction
79.
functional properties
80.
functional reactive programming
81.
functional requirements
82.
functional safety
83.
functional self-test
84.
functional smoothie
85.
Functional specialist in AI for public services
86.
functional state of the muscles -tiredness
87.
functional stress programs
88.
functional test generation
89.
functional verification
90.
functional-safety
91.
high-level functional fault model
92.
hybrid functional
93.
non-robust and functional sensitization
94.
non-robust and functional sensitization of delay faults
95.
size of functional groups
96.
a coherent theory of proofs
97.
activity theory
98.
adaptive structuration theory (AST)
99.
algebraic number theory
100.
algebraic theory
101.
algorithm design and theory
102.
beam theory
103.
bicategory theory
104.
catastrophe theory
105.
category theory
106.
chaos theory
107.
coding theory
108.
cognitive theory
109.
commitment theory
110.
communication channels (information theory)
111.
complexity leadership theory
112.
complexity theory
113.
computation theory
114.
computer softwaregraph theory
115.
conservation of resources theory
116.
Consumer Culture Theory
117.
control theory
118.
Cooper-Helmstetter cell cycle theory
119.
cosmology: theory
120.
critical theory of technology
121.
cultural theory of international relations
122.
dark matter theory
123.
decision theory
124.
Dempster-Shafer theory
125.
Demster-Shafer Theory
126.
dependent type theory
127.
design theory
128.
development theory
129.
Digital Government Theory: Development and Application
130.
dispersive theory
131.
domain theory
132.
ecological systems theory
133.
economic theory
134.
end of theory
135.
energetic impact theory
136.
enriched category theory
137.
evolutionary theory of policy capacity
138.
Flow theory
139.
formal category theory
140.
formal language theory
141.
fully nonlinear potential theory
142.
game theory
143.
general systems theory
144.
general theory of information transfer
145.
general vibration theory
146.
graph theory
147.
gravitational waves / theory
148.
grounded theory
149.
group theory
150.
group threat theory
151.
higher-order beam theory
152.
History and Theory
153.
homotopy theory
154.
homotopy type theory
155.
housemoney effect prospect theory
156.
iceberg theory of culture
157.
image theory
158.
information theory
159.
innovation theory
160.
institutional theory
161.
intellectual capital theory
162.
interdependence theory
163.
inverse problem theory/applications
164.
inverse problems theory/applications
165.
job search theory
166.
Lawvere theory
167.
layer-wise displacement theory
168.
linear systems theory
169.
maritime investment theory
170.
mechanism design theory
171.
middle-range theory
172.
modern portfolio theory
173.
network theory
174.
nonlinear shallow water theory
175.
nonlinear shallow-water theory
176.
nonlinear strip theory
177.
nonlinear theory
178.
normal torsion theory
179.
number theory
180.
organization theory
181.
organizational theory
182.
peer‐to‐peer theory
183.
perceived customer value theory
184.
phase field theory
185.
picture theory
186.
protection motivation theory
187.
proto-theory of design
188.
punctuated equilibrium theory
189.
rational choice theory
190.
real options theory
191.
realization theory
192.
reduction theory
193.
refined zigzag theory
194.
regulatory focus theory
195.
sampling theory
196.
scapegoat theory
197.
search and matching theory
198.
self-determination theory
199.
self-determination theory of work motivation
200.
set theory
201.
shallow water theory
202.
shallow‐water theory
203.
sign theory
204.
signalling theory
205.
social identity theory
206.
social practice theory
207.
social presence theory
208.
social representation theory
209.
social system theory
210.
social systems theory
211.
sociological curriculum theory
212.
speech-act theory
213.
stakeholder theory
214.
Stakeholder-oriented decision theory
215.
State Theory
216.
stimulus-organism-response theory
217.
stochastic learning theory
218.
strategic narrative theory
219.
strategic narrative theory
220.
Straussian theory model
221.
structuration theory
222.
switching theory
223.
synchronous reference frame theory
224.
system theory
225.
systems theory
226.
the RAT theory
227.
theory
228.
theory and practice of meta-modelling with application in healthcare
229.
theory of accounting
230.
Theory of computation
231.
Theory Of Constraints (TOC)
232.
theory of economic development
233.
theory of inventive problem solving (TRIZ)
234.
theory of natural disaster
235.
Theory of paradox
236.
theory of planned behavior
237.
theory of planned behaviour
238.
theory of signs
239.
theory of value
240.
ticked cubical type theory
241.
type theory
242.
unified theory of acceptance and use of technology
243.
value theory
244.
virtual disc theory
245.
2D+T theory
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