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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
290
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 properties
97.
functional reactive programming
98.
functional recovery
99.
functional requirements
100.
functional safety
101.
functional self-test
102.
functional smoothie
103.
Functional specialist in AI for public services
104.
functional state of the muscles -tiredness
105.
functional stress programs
106.
functional test generation
107.
functional trait diversity
108.
functional verification
109.
functional-safety
110.
high-level functional fault model
111.
hybrid functional
112.
mathematical structures in functional programming
113.
non-robust and functional sensitization
114.
non-robust and functional sensitization of delay faults
115.
plant-functional types
116.
size of functional groups
117.
a coherent theory of proofs
118.
activity theory
119.
adaptive structuration theory (AST)
120.
algebraic number theory
121.
algebraic theory
122.
algorithm design and theory
123.
beam theory
124.
behavioral reasoning theory
125.
bicategory theory
126.
Biot theory
127.
Bond theory
128.
Boolean Algebra Meets Graph-Theory
129.
catastrophe theory
130.
category theory
131.
chaos theory
132.
coding theory
133.
cognitive theory
134.
commitment theory
135.
communication channels (information theory)
136.
Complex systems theory
137.
complexity leadership theory
138.
complexity theory
139.
computation theory
140.
computer softwaregraph theory
141.
conservation of resources theory
142.
Consumer Culture Theory
143.
control and systems theory
144.
control theory
145.
Cooper-Helmstetter cell cycle theory
146.
cosmology theory
147.
cosmology: theory
148.
critical theory of technology
149.
cultural theory of international relations
150.
dark matter theory
151.
decision theory
152.
Dempster-Shafer theory
153.
Demster-Shafer Theory
154.
dependent type theory
155.
design theory
156.
Dezert–Smarandache theory
157.
development theory
158.
Digital Government Theory: Development and Application
159.
dispersive theory
160.
domain theory
161.
dual-process theory
162.
Dynamic capability theory
163.
ecological systems theory
164.
economic theory
165.
end of theory
166.
energetic impact theory
167.
engaged theory
168.
enriched category theory
169.
Euler Bernoulli beams theory
170.
evolutionary theory of policy capacity
171.
Flow theory
172.
formal category theory
173.
formal language theory
174.
fully nonlinear potential theory
175.
game theory
176.
general systems theory
177.
general theory of information transfer
178.
general vibration theory
179.
graph theory
180.
gravitational waves / theory
181.
grounded theory
182.
group theory
183.
group threat theory
184.
higher-order beam theory
185.
History and Theory
186.
homotopy theory
187.
homotopy type theory
188.
housemoney effect prospect theory
189.
iceberg theory of culture
190.
image theory
191.
information theory
192.
innovation theory
193.
institutional theory
194.
intellectual capital theory
195.
interdependence theory
196.
inverse problem theory/applications
197.
inverse problems theory/applications
198.
job search theory
199.
language theory
200.
Lawvere theory
201.
layer-wise displacement theory
202.
linear systems theory
203.
macro-foundational theory
204.
maritime investment theory
205.
mechanism design theory
206.
meso-foundational theory
207.
micro-foundational theory
208.
middle-range theory
209.
mindlin plate theory
210.
modern portfolio theory
211.
network theory
212.
nonlinear shallow water theory
213.
nonlinear shallow-water theory
214.
nonlinear strip theory
215.
nonlinear theory
216.
normal torsion theory
217.
number theory
218.
organismic integration theory
219.
organization theory
220.
organizational theory
221.
peer‐to‐peer theory
222.
perceived customer value theory
223.
phase field theory
224.
picture theory
225.
protection motivation theory
226.
proto-theory of design
227.
public administration theory
228.
punctuated equilibrium theory
229.
rational choice theory
230.
real options theory
231.
realization theory
232.
reduction theory
233.
refined zigzag theory
234.
regulatory focus theory
235.
sampling theory
236.
scapegoat theory
237.
search and matching theory
238.
self-determination theory
239.
self-determination theory of work motivation
240.
set theory
241.
shallow water theory
242.
shallow‐water theory
243.
sign theory
244.
signalling theory
245.
social exchange theory
246.
social identity theory
247.
social practice theory
248.
social presence theory
249.
social representation theory
250.
social system theory
251.
social systems theory
252.
sociological curriculum theory
253.
S-O-R theory
254.
speech-act theory
255.
stakeholder theory
256.
Stakeholder-oriented decision theory
257.
State Theory
258.
stimulus-organism-response theory
259.
stochastic learning theory
260.
strategic narrative theory
261.
strategic narrative theory
262.
Straussian theory model
263.
structuration theory
264.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
265.
switching theory
266.
synchronous reference frame theory
267.
system theory
268.
systems theory
269.
the RAT theory
270.
theory
271.
theory and practice of meta-modelling with application in healthcare
272.
theory building
273.
theory of accounting
274.
Theory of computation
275.
Theory Of Constraints (TOC)
276.
theory of economic development
277.
theory of inventive problem solving (TRIZ)
278.
theory of natural disaster
279.
Theory of paradox
280.
theory of planned behavior
281.
theory of planned behaviour
282.
theory of signs
283.
theory of value
284.
theory selection
285.
ticked cubical type theory
286.
type theory
287.
unified theory of acceptance and use of technology
288.
value theory
289.
virtual disc theory
290.
2D+T theory
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