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