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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
Journal metrics at WOS
Article at WOS
journal article EST
/
journal article ENG
Number of records 3, displaying
1 - 3
keyword
289
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.
ecological systems theory
163.
economic theory
164.
end of theory
165.
energetic impact theory
166.
engaged theory
167.
enriched category theory
168.
Euler Bernoulli beams theory
169.
evolutionary theory of policy capacity
170.
Flow theory
171.
formal category theory
172.
formal language theory
173.
fully nonlinear potential theory
174.
game theory
175.
general systems theory
176.
general theory of information transfer
177.
general vibration theory
178.
graph theory
179.
gravitational waves / theory
180.
grounded theory
181.
group theory
182.
group threat theory
183.
higher-order beam theory
184.
History and Theory
185.
homotopy theory
186.
homotopy type theory
187.
housemoney effect prospect theory
188.
iceberg theory of culture
189.
image theory
190.
information theory
191.
innovation theory
192.
institutional theory
193.
intellectual capital theory
194.
interdependence theory
195.
inverse problem theory/applications
196.
inverse problems theory/applications
197.
job search theory
198.
language theory
199.
Lawvere theory
200.
layer-wise displacement theory
201.
linear systems theory
202.
macro-foundational theory
203.
maritime investment theory
204.
mechanism design theory
205.
meso-foundational theory
206.
micro-foundational theory
207.
middle-range theory
208.
mindlin plate theory
209.
modern portfolio theory
210.
network theory
211.
nonlinear shallow water theory
212.
nonlinear shallow-water theory
213.
nonlinear strip theory
214.
nonlinear theory
215.
normal torsion theory
216.
number theory
217.
organismic integration theory
218.
organization theory
219.
organizational theory
220.
peer‐to‐peer theory
221.
perceived customer value theory
222.
phase field theory
223.
picture theory
224.
protection motivation theory
225.
proto-theory of design
226.
public administration theory
227.
punctuated equilibrium theory
228.
rational choice theory
229.
real options theory
230.
realization theory
231.
reduction theory
232.
refined zigzag theory
233.
regulatory focus theory
234.
sampling theory
235.
scapegoat theory
236.
search and matching theory
237.
self-determination theory
238.
self-determination theory of work motivation
239.
set theory
240.
shallow water theory
241.
shallow‐water theory
242.
sign theory
243.
signalling theory
244.
social exchange theory
245.
social identity theory
246.
social practice theory
247.
social presence theory
248.
social representation theory
249.
social system theory
250.
social systems theory
251.
sociological curriculum theory
252.
S-O-R theory
253.
speech-act theory
254.
stakeholder theory
255.
Stakeholder-oriented decision theory
256.
State Theory
257.
stimulus-organism-response theory
258.
stochastic learning theory
259.
strategic narrative theory
260.
strategic narrative theory
261.
Straussian theory model
262.
structuration theory
263.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
264.
switching theory
265.
synchronous reference frame theory
266.
system theory
267.
systems theory
268.
the RAT theory
269.
theory
270.
theory and practice of meta-modelling with application in healthcare
271.
theory building
272.
theory of accounting
273.
Theory of computation
274.
Theory Of Constraints (TOC)
275.
theory of economic development
276.
theory of inventive problem solving (TRIZ)
277.
theory of natural disaster
278.
Theory of paradox
279.
theory of planned behavior
280.
theory of planned behaviour
281.
theory of signs
282.
theory of value
283.
theory selection
284.
ticked cubical type theory
285.
type theory
286.
unified theory of acceptance and use of technology
287.
value theory
288.
virtual disc theory
289.
2D+T theory
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