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