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