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