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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
283
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 food ingredients
77.
functional gene analysis
78.
functional groups
79.
functional institutional analysis
80.
functional ionic liquids
81.
functional iteration
82.
functional material
83.
functional materials
84.
functional models
85.
functional morphology
86.
functional polymer
87.
functional power plants
88.
functional power-plants
89.
functional prediction
90.
functional profiling
91.
functional properties
92.
functional reactive programming
93.
functional recovery
94.
functional requirements
95.
functional safety
96.
functional self-test
97.
functional smoothie
98.
Functional specialist in AI for public services
99.
functional state of the muscles -tiredness
100.
functional stress programs
101.
functional test generation
102.
functional trait diversity
103.
functional verification
104.
functional-safety
105.
high-level functional fault model
106.
hybrid functional
107.
mathematical structures in functional programming
108.
non-robust and functional sensitization
109.
non-robust and functional sensitization of delay faults
110.
plant-functional types
111.
size of functional groups
112.
a coherent theory of proofs
113.
activity theory
114.
adaptive structuration theory (AST)
115.
algebraic number theory
116.
algebraic theory
117.
algorithm design and theory
118.
beam theory
119.
behavioral reasoning theory
120.
bicategory theory
121.
Biot theory
122.
Bond theory
123.
Boolean Algebra Meets Graph-Theory
124.
catastrophe theory
125.
category theory
126.
chaos theory
127.
coding theory
128.
cognitive theory
129.
commitment theory
130.
communication channels (information theory)
131.
Complex systems theory
132.
complexity leadership theory
133.
complexity theory
134.
computation theory
135.
computer softwaregraph theory
136.
conservation of resources theory
137.
Consumer Culture Theory
138.
control and systems theory
139.
control theory
140.
Cooper-Helmstetter cell cycle theory
141.
cosmology theory
142.
cosmology: theory
143.
critical theory of technology
144.
cultural theory of international relations
145.
dark matter theory
146.
decision theory
147.
Dempster-Shafer theory
148.
Demster-Shafer Theory
149.
dependent type theory
150.
design theory
151.
Dezert–Smarandache theory
152.
development theory
153.
Digital Government Theory: Development and Application
154.
dispersive theory
155.
domain theory
156.
ecological systems theory
157.
economic theory
158.
end of theory
159.
energetic impact theory
160.
engaged theory
161.
enriched category theory
162.
Euler Bernoulli beams theory
163.
evolutionary theory of policy capacity
164.
Flow theory
165.
formal category theory
166.
formal language theory
167.
fully nonlinear potential theory
168.
game theory
169.
general systems theory
170.
general theory of information transfer
171.
general vibration theory
172.
graph theory
173.
gravitational waves / theory
174.
grounded theory
175.
group theory
176.
group threat theory
177.
higher-order beam theory
178.
History and Theory
179.
homotopy theory
180.
homotopy type theory
181.
housemoney effect prospect theory
182.
iceberg theory of culture
183.
image theory
184.
information theory
185.
innovation theory
186.
institutional theory
187.
intellectual capital theory
188.
interdependence theory
189.
inverse problem theory/applications
190.
inverse problems theory/applications
191.
job search theory
192.
language theory
193.
Lawvere theory
194.
layer-wise displacement theory
195.
linear systems theory
196.
macro-foundational theory
197.
maritime investment theory
198.
mechanism design theory
199.
meso-foundational theory
200.
micro-foundational theory
201.
middle-range theory
202.
mindlin plate theory
203.
modern portfolio theory
204.
network theory
205.
nonlinear shallow water theory
206.
nonlinear shallow-water theory
207.
nonlinear strip theory
208.
nonlinear theory
209.
normal torsion theory
210.
number theory
211.
organismic integration theory
212.
organization theory
213.
organizational theory
214.
peer‐to‐peer theory
215.
perceived customer value theory
216.
phase field theory
217.
picture theory
218.
protection motivation theory
219.
proto-theory of design
220.
public administration theory
221.
punctuated equilibrium theory
222.
rational choice theory
223.
real options theory
224.
realization theory
225.
reduction theory
226.
refined zigzag theory
227.
regulatory focus theory
228.
sampling theory
229.
scapegoat theory
230.
search and matching theory
231.
self-determination theory
232.
self-determination theory of work motivation
233.
set theory
234.
shallow water theory
235.
shallow‐water theory
236.
sign theory
237.
signalling theory
238.
social exchange theory
239.
social identity theory
240.
social practice theory
241.
social presence theory
242.
social representation theory
243.
social system theory
244.
social systems theory
245.
sociological curriculum theory
246.
S-O-R theory
247.
speech-act theory
248.
stakeholder theory
249.
Stakeholder-oriented decision theory
250.
State Theory
251.
stimulus-organism-response theory
252.
stochastic learning theory
253.
strategic narrative theory
254.
strategic narrative theory
255.
Straussian theory model
256.
structuration theory
257.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
258.
switching theory
259.
synchronous reference frame theory
260.
system theory
261.
systems theory
262.
the RAT theory
263.
theory
264.
theory and practice of meta-modelling with application in healthcare
265.
theory building
266.
theory of accounting
267.
Theory of computation
268.
Theory Of Constraints (TOC)
269.
theory of economic development
270.
theory of inventive problem solving (TRIZ)
271.
theory of natural disaster
272.
Theory of paradox
273.
theory of planned behavior
274.
theory of planned behaviour
275.
theory of signs
276.
theory of value
277.
theory selection
278.
ticked cubical type theory
279.
type theory
280.
unified theory of acceptance and use of technology
281.
value theory
282.
virtual disc theory
283.
2D+T theory
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