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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 EST
/
journal article ENG
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
https://doi.org/10.1002/qua.24619
Journal metrics at Scopus
Article at Scopus
Journal metrics at WOS
Article at WOS
journal article EST
/
journal article ENG
Number of records 3, displaying
1 - 3
keyword
274
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 of states
17.
Density-driven overfows
18.
direct density ratio estimation
19.
directional power spectral density
20.
dislocation density
21.
doping density
22.
electron density measurement
23.
field density in tissue
24.
high power density
25.
high-density apolipoprotein A
26.
high-density lipoprotein cholesterol
27.
hyper-branched linear low density PE
28.
Laser energy density
29.
linear heat density
30.
Linear low-density polyethylene
31.
liquid density
32.
low density areas
33.
low density polyethylene (LDPE)
34.
low-density lipoprotein
35.
low-density lipoprotein (LDL) cholesterol
36.
low-density lipoprotein cholesterol
37.
low-density polyethylene
38.
low-density-polyethylene
39.
magnetic flux density
40.
material density
41.
medium density fibreboard (MDF) cracking
42.
modified low-density lipoproteins
43.
oxidized low-density lipoproteins
44.
power density
45.
power spectral density
46.
probability density function
47.
projected device density of states (PDDOS)
48.
relative density
49.
species density
50.
wave density spectra
51.
vertical channel density (VD)
52.
vertical link density
53.
Very-low density lipoprotein triglycerides
54.
cross-functional teams
55.
extra-functional verification
56.
FIM (functional independence measure)
57.
FIM + FAM (functional assessment measure)
58.
functional diversity
59.
functional approximation
60.
functional biomaterials
61.
functional BIST
62.
functional capacity of cooperation
63.
functional capacity of integration
64.
functional complexes
65.
functional components
66.
functional connectivity
67.
functional data analysis
68.
functional derating
69.
functional de-rating
70.
functional dispersion
71.
functional diversity
72.
functional equivalence principle
73.
Functional Failure Rate (FFR)
74.
functional fault model
75.
functional food
76.
functional gene analysis
77.
functional groups
78.
functional institutional analysis
79.
functional ionic liquids
80.
functional iteration
81.
functional material
82.
functional materials
83.
functional models
84.
functional morphology
85.
functional polymer
86.
functional power plants
87.
functional power-plants
88.
functional prediction
89.
functional profiling
90.
functional properties
91.
functional reactive programming
92.
functional recovery
93.
functional requirements
94.
functional safety
95.
functional self-test
96.
functional smoothie
97.
Functional specialist in AI for public services
98.
functional state of the muscles -tiredness
99.
functional stress programs
100.
functional test generation
101.
functional trait diversity
102.
functional verification
103.
functional-safety
104.
high-level functional fault model
105.
hybrid functional
106.
mathematical structures in functional programming
107.
non-robust and functional sensitization
108.
non-robust and functional sensitization of delay faults
109.
plant-functional types
110.
size of functional groups
111.
a coherent theory of proofs
112.
activity theory
113.
adaptive structuration theory (AST)
114.
algebraic number theory
115.
algebraic theory
116.
algorithm design and theory
117.
beam theory
118.
behavioral reasoning theory
119.
bicategory theory
120.
Bond theory
121.
Boolean Algebra Meets Graph-Theory
122.
catastrophe theory
123.
category theory
124.
chaos theory
125.
coding theory
126.
cognitive theory
127.
commitment theory
128.
communication channels (information theory)
129.
Complex systems theory
130.
complexity leadership theory
131.
complexity theory
132.
computation theory
133.
computer softwaregraph theory
134.
conservation of resources theory
135.
Consumer Culture Theory
136.
control theory
137.
Cooper-Helmstetter cell cycle theory
138.
cosmology: theory
139.
critical theory of technology
140.
cultural theory of international relations
141.
dark matter theory
142.
decision theory
143.
Dempster-Shafer theory
144.
Demster-Shafer Theory
145.
dependent type theory
146.
design theory
147.
development theory
148.
Digital Government Theory: Development and Application
149.
dispersive theory
150.
domain theory
151.
ecological systems theory
152.
economic theory
153.
end of theory
154.
energetic impact theory
155.
enriched category theory
156.
Euler Bernoulli beams theory
157.
evolutionary theory of policy capacity
158.
Flow theory
159.
formal category theory
160.
formal language theory
161.
fully nonlinear potential theory
162.
game theory
163.
general systems theory
164.
general theory of information transfer
165.
general vibration theory
166.
graph theory
167.
gravitational waves / theory
168.
grounded theory
169.
group theory
170.
group threat theory
171.
higher-order beam theory
172.
History and Theory
173.
homotopy theory
174.
homotopy type theory
175.
housemoney effect prospect theory
176.
iceberg theory of culture
177.
image theory
178.
information theory
179.
innovation theory
180.
institutional theory
181.
intellectual capital theory
182.
interdependence theory
183.
inverse problem theory/applications
184.
inverse problems theory/applications
185.
job search theory
186.
language theory
187.
Lawvere theory
188.
layer-wise displacement theory
189.
linear systems theory
190.
macro-foundational theory
191.
maritime investment theory
192.
mechanism design theory
193.
meso-foundational theory
194.
micro-foundational theory
195.
middle-range theory
196.
modern portfolio theory
197.
network theory
198.
nonlinear shallow water theory
199.
nonlinear shallow-water theory
200.
nonlinear strip theory
201.
nonlinear theory
202.
normal torsion theory
203.
number theory
204.
organization theory
205.
organizational theory
206.
peer‐to‐peer theory
207.
perceived customer value theory
208.
phase field theory
209.
picture theory
210.
protection motivation theory
211.
proto-theory of design
212.
punctuated equilibrium theory
213.
rational choice theory
214.
real options theory
215.
realization theory
216.
reduction theory
217.
refined zigzag theory
218.
regulatory focus theory
219.
sampling theory
220.
scapegoat theory
221.
search and matching theory
222.
self-determination theory
223.
self-determination theory of work motivation
224.
set theory
225.
shallow water theory
226.
shallow‐water theory
227.
sign theory
228.
signalling theory
229.
social exchange theory
230.
social identity theory
231.
social practice theory
232.
social presence theory
233.
social representation theory
234.
social system theory
235.
social systems theory
236.
sociological curriculum theory
237.
S-O-R theory
238.
speech-act theory
239.
stakeholder theory
240.
Stakeholder-oriented decision theory
241.
State Theory
242.
stimulus-organism-response theory
243.
stochastic learning theory
244.
strategic narrative theory
245.
strategic narrative theory
246.
Straussian theory model
247.
structuration theory
248.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
249.
switching theory
250.
synchronous reference frame theory
251.
system theory
252.
systems theory
253.
the RAT theory
254.
theory
255.
theory and practice of meta-modelling with application in healthcare
256.
theory building
257.
theory of accounting
258.
Theory of computation
259.
Theory Of Constraints (TOC)
260.
theory of economic development
261.
theory of inventive problem solving (TRIZ)
262.
theory of natural disaster
263.
Theory of paradox
264.
theory of planned behavior
265.
theory of planned behaviour
266.
theory of signs
267.
theory of value
268.
theory selection
269.
ticked cubical type theory
270.
type theory
271.
unified theory of acceptance and use of technology
272.
value theory
273.
virtual disc theory
274.
2D+T theory
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