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