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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
259
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-driven overfows
17.
direct density ratio estimation
18.
directional power spectral density
19.
dislocation density
20.
doping density
21.
electron density measurement
22.
field density in tissue
23.
high-density apolipoprotein A
24.
hyper-branched linear low density PE
25.
linear heat density
26.
Linear low-density polyethylene
27.
liquid density
28.
low density areas
29.
low density polyethylene (LDPE)
30.
low-density lipoprotein
31.
low-density lipoprotein (LDL) cholesterol
32.
low-density lipoprotein cholesterol
33.
low-density polyethylene
34.
low-density-polyethylene
35.
magnetic flux density
36.
material density
37.
medium density fibreboard (MDF) cracking
38.
modified low-density lipoproteins
39.
oxidized low-density lipoproteins
40.
power density
41.
power spectral density
42.
probability density function
43.
projected device density of states (PDDOS)
44.
relative density
45.
species density
46.
wave density spectra
47.
vertical channel density (VD)
48.
vertical link density
49.
extra-functional verification
50.
FIM (functional independence measure)
51.
FIM + FAM (functional assessment measure)
52.
functional diversity
53.
functional approximation
54.
functional biomaterials
55.
functional BIST
56.
functional capacity of cooperation
57.
functional capacity of integration
58.
functional complexes
59.
functional components
60.
functional connectivity
61.
functional data analysis
62.
functional derating
63.
functional de-rating
64.
functional dispersion
65.
functional diversity
66.
functional equivalence principle
67.
Functional Failure Rate (FFR)
68.
functional fault model
69.
functional food
70.
functional gene analysis
71.
functional groups
72.
functional institutional analysis
73.
functional ionic liquids
74.
functional iteration
75.
functional material
76.
functional materials
77.
functional models
78.
functional morphology
79.
functional polymer
80.
functional power plants
81.
functional power-plants
82.
functional prediction
83.
functional profiling
84.
functional properties
85.
functional reactive programming
86.
functional recovery
87.
functional requirements
88.
functional safety
89.
functional self-test
90.
functional smoothie
91.
Functional specialist in AI for public services
92.
functional state of the muscles -tiredness
93.
functional stress programs
94.
functional test generation
95.
functional trait diversity
96.
functional verification
97.
functional-safety
98.
high-level functional fault model
99.
hybrid functional
100.
mathematical structures in functional programming
101.
non-robust and functional sensitization
102.
non-robust and functional sensitization of delay faults
103.
plant-functional types
104.
size of functional groups
105.
a coherent theory of proofs
106.
activity theory
107.
adaptive structuration theory (AST)
108.
algebraic number theory
109.
algebraic theory
110.
algorithm design and theory
111.
beam theory
112.
behavioral reasoning theory
113.
bicategory theory
114.
Boolean Algebra Meets Graph-Theory
115.
catastrophe theory
116.
category theory
117.
chaos theory
118.
coding theory
119.
cognitive theory
120.
commitment theory
121.
communication channels (information theory)
122.
complexity leadership theory
123.
complexity theory
124.
computation theory
125.
computer softwaregraph theory
126.
conservation of resources theory
127.
Consumer Culture Theory
128.
control theory
129.
Cooper-Helmstetter cell cycle theory
130.
cosmology: theory
131.
critical theory of technology
132.
cultural theory of international relations
133.
dark matter theory
134.
decision theory
135.
Dempster-Shafer theory
136.
Demster-Shafer Theory
137.
dependent type theory
138.
design theory
139.
development theory
140.
Digital Government Theory: Development and Application
141.
dispersive theory
142.
domain theory
143.
ecological systems theory
144.
economic theory
145.
end of theory
146.
energetic impact theory
147.
enriched category theory
148.
evolutionary theory of policy capacity
149.
Flow theory
150.
formal category theory
151.
formal language theory
152.
fully nonlinear potential theory
153.
game theory
154.
general systems theory
155.
general theory of information transfer
156.
general vibration theory
157.
graph theory
158.
gravitational waves / theory
159.
grounded theory
160.
group theory
161.
group threat theory
162.
higher-order beam theory
163.
History and Theory
164.
homotopy theory
165.
homotopy type theory
166.
housemoney effect prospect theory
167.
iceberg theory of culture
168.
image theory
169.
information theory
170.
innovation theory
171.
institutional theory
172.
intellectual capital theory
173.
interdependence theory
174.
inverse problem theory/applications
175.
inverse problems theory/applications
176.
job search theory
177.
Lawvere theory
178.
layer-wise displacement theory
179.
linear systems theory
180.
maritime investment theory
181.
mechanism design theory
182.
middle-range theory
183.
modern portfolio theory
184.
network theory
185.
nonlinear shallow water theory
186.
nonlinear shallow-water theory
187.
nonlinear strip theory
188.
nonlinear theory
189.
normal torsion theory
190.
number theory
191.
organization theory
192.
organizational theory
193.
peer‐to‐peer theory
194.
perceived customer value theory
195.
phase field theory
196.
picture theory
197.
protection motivation theory
198.
proto-theory of design
199.
punctuated equilibrium theory
200.
rational choice theory
201.
real options theory
202.
realization theory
203.
reduction theory
204.
refined zigzag theory
205.
regulatory focus theory
206.
sampling theory
207.
scapegoat theory
208.
search and matching theory
209.
self-determination theory
210.
self-determination theory of work motivation
211.
set theory
212.
shallow water theory
213.
shallow‐water theory
214.
sign theory
215.
signalling theory
216.
social identity theory
217.
social practice theory
218.
social presence theory
219.
social representation theory
220.
social system theory
221.
social systems theory
222.
sociological curriculum theory
223.
S-O-R theory
224.
speech-act theory
225.
stakeholder theory
226.
Stakeholder-oriented decision theory
227.
State Theory
228.
stimulus-organism-response theory
229.
stochastic learning theory
230.
strategic narrative theory
231.
strategic narrative theory
232.
Straussian theory model
233.
structuration theory
234.
Sustainable Business Models Interdependence Theory’s Principle Of Interaction
235.
switching theory
236.
synchronous reference frame theory
237.
system theory
238.
systems theory
239.
the RAT theory
240.
theory
241.
theory and practice of meta-modelling with application in healthcare
242.
theory building
243.
theory of accounting
244.
Theory of computation
245.
Theory Of Constraints (TOC)
246.
theory of economic development
247.
theory of inventive problem solving (TRIZ)
248.
theory of natural disaster
249.
Theory of paradox
250.
theory of planned behavior
251.
theory of planned behaviour
252.
theory of signs
253.
theory of value
254.
ticked cubical type theory
255.
type theory
256.
unified theory of acceptance and use of technology
257.
value theory
258.
virtual disc theory
259.
2D+T theory
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