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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
257
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-driven overfows
17.
direct density ratio estimation
18.
directional power spectral density
19.
dislocation density
20.
doping density
21.
electron density measurement
22.
field density in tissue
23.
high-density apolipoprotein A
24.
hyper-branched linear low density PE
25.
linear heat density
26.
Linear low-density polyethylene
27.
liquid density
28.
low density areas
29.
low density polyethylene (LDPE)
30.
low-density lipoprotein
31.
low-density lipoprotein (LDL) cholesterol
32.
low-density lipoprotein cholesterol
33.
low-density polyethylene
34.
low-density-polyethylene
35.
magnetic flux density
36.
material density
37.
medium density fibreboard (MDF) cracking
38.
modified low-density lipoproteins
39.
oxidized low-density lipoproteins
40.
power density
41.
power spectral density
42.
probability density function
43.
projected device density of states (PDDOS)
44.
relative density
45.
species density
46.
wave density spectra
47.
vertical channel density (VD)
48.
vertical link density
49.
extra-functional verification
50.
FIM (functional independence measure)
51.
FIM + FAM (functional assessment measure)
52.
functional diversity
53.
functional approximation
54.
functional biomaterials
55.
functional BIST
56.
functional capacity of cooperation
57.
functional capacity of integration
58.
functional complexes
59.
functional components
60.
functional connectivity
61.
functional data analysis
62.
functional derating
63.
functional de-rating
64.
functional dispersion
65.
functional diversity
66.
functional equivalence principle
67.
Functional Failure Rate (FFR)
68.
functional fault model
69.
functional food
70.
functional gene analysis
71.
functional groups
72.
functional institutional analysis
73.
functional ionic liquids
74.
functional iteration
75.
functional material
76.
functional materials
77.
functional models
78.
functional morphology
79.
functional polymer
80.
functional power plants
81.
functional power-plants
82.
functional prediction
83.
functional profiling
84.
functional properties
85.
functional reactive programming
86.
functional requirements
87.
functional safety
88.
functional self-test
89.
functional smoothie
90.
Functional specialist in AI for public services
91.
functional state of the muscles -tiredness
92.
functional stress programs
93.
functional test generation
94.
functional trait diversity
95.
functional verification
96.
functional-safety
97.
high-level functional fault model
98.
hybrid functional
99.
non-robust and functional sensitization
100.
non-robust and functional sensitization of delay faults
101.
plant-functional types
102.
size of functional groups
103.
a coherent theory of proofs
104.
activity theory
105.
adaptive structuration theory (AST)
106.
algebraic number theory
107.
algebraic theory
108.
algorithm design and theory
109.
beam theory
110.
behavioral reasoning theory
111.
bicategory theory
112.
Boolean Algebra Meets Graph-Theory
113.
catastrophe theory
114.
category theory
115.
chaos theory
116.
coding theory
117.
cognitive theory
118.
commitment theory
119.
communication channels (information theory)
120.
complexity leadership theory
121.
complexity theory
122.
computation theory
123.
computer softwaregraph theory
124.
conservation of resources theory
125.
Consumer Culture Theory
126.
control theory
127.
Cooper-Helmstetter cell cycle theory
128.
cosmology: theory
129.
critical theory of technology
130.
cultural theory of international relations
131.
dark matter theory
132.
decision theory
133.
Dempster-Shafer theory
134.
Demster-Shafer Theory
135.
dependent type theory
136.
design theory
137.
development theory
138.
Digital Government Theory: Development and Application
139.
dispersive theory
140.
domain theory
141.
ecological systems theory
142.
economic theory
143.
end of theory
144.
energetic impact theory
145.
enriched category theory
146.
evolutionary theory of policy capacity
147.
Flow theory
148.
formal category theory
149.
formal language theory
150.
fully nonlinear potential theory
151.
game theory
152.
general systems theory
153.
general theory of information transfer
154.
general vibration theory
155.
graph theory
156.
gravitational waves / theory
157.
grounded theory
158.
group theory
159.
group threat theory
160.
higher-order beam theory
161.
History and Theory
162.
homotopy theory
163.
homotopy type theory
164.
housemoney effect prospect theory
165.
iceberg theory of culture
166.
image theory
167.
information theory
168.
innovation theory
169.
institutional theory
170.
intellectual capital theory
171.
interdependence theory
172.
inverse problem theory/applications
173.
inverse problems theory/applications
174.
job search theory
175.
Lawvere theory
176.
layer-wise displacement theory
177.
linear systems theory
178.
maritime investment theory
179.
mechanism design theory
180.
middle-range theory
181.
modern portfolio theory
182.
network theory
183.
nonlinear shallow water theory
184.
nonlinear shallow-water theory
185.
nonlinear strip theory
186.
nonlinear theory
187.
normal torsion theory
188.
number theory
189.
organization theory
190.
organizational theory
191.
peer‐to‐peer theory
192.
perceived customer value theory
193.
phase field theory
194.
picture theory
195.
protection motivation theory
196.
proto-theory of design
197.
punctuated equilibrium theory
198.
rational choice theory
199.
real options theory
200.
realization theory
201.
reduction theory
202.
refined zigzag theory
203.
regulatory focus theory
204.
sampling theory
205.
scapegoat theory
206.
search and matching theory
207.
self-determination theory
208.
self-determination theory of work motivation
209.
set theory
210.
shallow water theory
211.
shallow‐water theory
212.
sign theory
213.
signalling theory
214.
social identity theory
215.
social practice theory
216.
social presence theory
217.
social representation theory
218.
social system theory
219.
social systems theory
220.
sociological curriculum theory
221.
S-O-R theory
222.
speech-act theory
223.
stakeholder theory
224.
Stakeholder-oriented decision theory
225.
State Theory
226.
stimulus-organism-response theory
227.
stochastic learning theory
228.
strategic narrative theory
229.
strategic narrative theory
230.
Straussian theory model
231.
structuration theory
232.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
233.
switching theory
234.
synchronous reference frame theory
235.
system theory
236.
systems theory
237.
the RAT theory
238.
theory
239.
theory and practice of meta-modelling with application in healthcare
240.
theory building
241.
theory of accounting
242.
Theory of computation
243.
Theory Of Constraints (TOC)
244.
theory of economic development
245.
theory of inventive problem solving (TRIZ)
246.
theory of natural disaster
247.
Theory of paradox
248.
theory of planned behavior
249.
theory of planned behaviour
250.
theory of signs
251.
theory of value
252.
ticked cubical type theory
253.
type theory
254.
unified theory of acceptance and use of technology
255.
value theory
256.
virtual disc theory
257.
2D+T theory
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