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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 EST
/
journal article ENG
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 metrics at Scopus
Article at Scopus
Journal metrics at WOS
Article at WOS
journal article EST
/
journal article ENG
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
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Article at WOS
journal article EST
/
journal article ENG
Number of records 3, displaying
1 - 3
keyword
291
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 measurement
16.
density of representation
17.
density of states
18.
Density-driven overfows
19.
direct density ratio estimation
20.
directional power spectral density
21.
dislocation density
22.
doping density
23.
electron density measurement
24.
field density in tissue
25.
high power density
26.
high-density apolipoprotein A
27.
high-density lipoprotein cholesterol
28.
hyper-branched linear low density PE
29.
Laser energy density
30.
linear heat density
31.
Linear low-density polyethylene
32.
liquid density
33.
low density areas
34.
low density polyethylene (LDPE)
35.
low-density lipoprotein
36.
low-density lipoprotein (LDL) cholesterol
37.
low-density lipoprotein cholesterol
38.
low-density lipoproteins
39.
low-density polyethylene
40.
low-density-polyethylene
41.
magnetic flux density
42.
material density
43.
medium density fibreboard (MDF) cracking
44.
modified low-density lipoproteins
45.
occupancy density
46.
oxidized low-density lipoproteins
47.
power density
48.
power spectral density
49.
probability density function
50.
projected device density of states (PDDOS)
51.
pulse density modulation
52.
relative density
53.
species density
54.
wave density spectra
55.
vertical channel density (VD)
56.
vertical link density
57.
Very-low density lipoprotein triglycerides
58.
cross-functional teams
59.
extra-functional verification
60.
FIM (functional independence measure)
61.
FIM + FAM (functional assessment measure)
62.
functional diversity
63.
functional approximation
64.
functional biomaterials
65.
functional BIST
66.
functional capacity of cooperation
67.
functional capacity of integration
68.
functional complexes
69.
functional components
70.
functional connectivity
71.
functional data analysis
72.
functional derating
73.
functional de-rating
74.
functional dispersion
75.
functional diversity
76.
functional equivalence principle
77.
Functional Failure Rate (FFR)
78.
functional fault model
79.
functional food
80.
functional food ingredients
81.
functional gene analysis
82.
functional groups
83.
functional imaging
84.
functional institutional analysis
85.
functional ionic liquids
86.
functional iteration
87.
functional material
88.
functional materials
89.
functional models
90.
functional morphology
91.
functional polymer
92.
functional power plants
93.
functional power-plants
94.
functional prediction
95.
functional profiling
96.
functional programming
97.
functional properties
98.
functional reactive programming
99.
functional recovery
100.
functional requirements
101.
functional safety
102.
functional self-test
103.
functional smoothie
104.
Functional specialist in AI for public services
105.
functional state of the muscles -tiredness
106.
functional stress programs
107.
functional test generation
108.
functional trait diversity
109.
functional verification
110.
functional-safety
111.
high-level functional fault model
112.
hybrid functional
113.
mathematical structures in functional programming
114.
non-robust and functional sensitization
115.
non-robust and functional sensitization of delay faults
116.
plant-functional types
117.
size of functional groups
118.
a coherent theory of proofs
119.
activity theory
120.
adaptive structuration theory (AST)
121.
algebraic number theory
122.
algebraic theory
123.
algorithm design and theory
124.
beam theory
125.
behavioral reasoning theory
126.
bicategory theory
127.
Biot theory
128.
Bond theory
129.
Boolean Algebra Meets Graph-Theory
130.
catastrophe theory
131.
category theory
132.
chaos theory
133.
coding theory
134.
cognitive theory
135.
commitment theory
136.
communication channels (information theory)
137.
Complex systems theory
138.
complexity leadership theory
139.
complexity theory
140.
computation theory
141.
computer softwaregraph theory
142.
conservation of resources theory
143.
Consumer Culture Theory
144.
control and systems theory
145.
control theory
146.
Cooper-Helmstetter cell cycle theory
147.
cosmology theory
148.
cosmology: theory
149.
critical theory of technology
150.
cultural theory of international relations
151.
dark matter theory
152.
decision theory
153.
Dempster-Shafer theory
154.
Demster-Shafer Theory
155.
dependent type theory
156.
design theory
157.
Dezert–Smarandache theory
158.
development theory
159.
Digital Government Theory: Development and Application
160.
dispersive theory
161.
domain theory
162.
dual-process theory
163.
Dynamic capability theory
164.
ecological systems theory
165.
economic theory
166.
end of theory
167.
energetic impact theory
168.
engaged theory
169.
enriched category theory
170.
Euler Bernoulli beams theory
171.
evolutionary theory of policy capacity
172.
Flow theory
173.
formal category theory
174.
formal language theory
175.
fully nonlinear potential theory
176.
game theory
177.
general systems theory
178.
general theory of information transfer
179.
general vibration theory
180.
graph theory
181.
gravitational waves / theory
182.
grounded theory
183.
group theory
184.
group threat theory
185.
higher-order beam theory
186.
History and Theory
187.
homotopy theory
188.
homotopy type theory
189.
housemoney effect prospect theory
190.
iceberg theory of culture
191.
image theory
192.
information theory
193.
innovation theory
194.
institutional theory
195.
intellectual capital theory
196.
interdependence theory
197.
inverse problem theory/applications
198.
inverse problems theory/applications
199.
job search theory
200.
language theory
201.
Lawvere theory
202.
layer-wise displacement theory
203.
linear systems theory
204.
macro-foundational theory
205.
maritime investment theory
206.
mechanism design theory
207.
meso-foundational theory
208.
micro-foundational theory
209.
middle-range theory
210.
mindlin plate theory
211.
modern portfolio theory
212.
network theory
213.
nonlinear shallow water theory
214.
nonlinear shallow-water theory
215.
nonlinear strip theory
216.
nonlinear theory
217.
normal torsion theory
218.
number theory
219.
organismic integration theory
220.
organization theory
221.
organizational theory
222.
peer‐to‐peer theory
223.
perceived customer value theory
224.
phase field theory
225.
picture theory
226.
protection motivation theory
227.
proto-theory of design
228.
public administration theory
229.
punctuated equilibrium theory
230.
rational choice theory
231.
real options theory
232.
realization theory
233.
reduction theory
234.
refined zigzag theory
235.
regulatory focus theory
236.
sampling theory
237.
scapegoat theory
238.
search and matching theory
239.
self-determination theory
240.
self-determination theory of work motivation
241.
set theory
242.
shallow water theory
243.
shallow‐water theory
244.
sign theory
245.
signalling theory
246.
social exchange theory
247.
social identity theory
248.
social practice theory
249.
social presence theory
250.
social representation theory
251.
social system theory
252.
social systems theory
253.
sociological curriculum theory
254.
S-O-R theory
255.
speech-act theory
256.
stakeholder theory
257.
Stakeholder-oriented decision theory
258.
State Theory
259.
stimulus-organism-response theory
260.
stochastic learning theory
261.
strategic narrative theory
262.
strategic narrative theory
263.
Straussian theory model
264.
structuration theory
265.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
266.
switching theory
267.
synchronous reference frame theory
268.
system theory
269.
systems theory
270.
the RAT theory
271.
theory
272.
theory and practice of meta-modelling with application in healthcare
273.
theory building
274.
theory of accounting
275.
Theory of computation
276.
Theory Of Constraints (TOC)
277.
theory of economic development
278.
theory of inventive problem solving (TRIZ)
279.
theory of natural disaster
280.
Theory of paradox
281.
theory of planned behavior
282.
theory of planned behaviour
283.
theory of signs
284.
theory of value
285.
theory selection
286.
ticked cubical type theory
287.
type theory
288.
unified theory of acceptance and use of technology
289.
value theory
290.
virtual disc theory
291.
2D+T theory
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