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