Toggle navigation
Publications
Profiles
Research Groups
Indexes
Help and information
Eesti keeles
Intranet
Publications
Profiles
Research Groups
Indexes
Help and information
Eesti keeles
Intranet
Databases
Publications
Advanced search
My bookmarks
0
density functional calculations (keyword)
All fields
Source search
Author search
Subject term search
Title search
source
author
DOI
year of publication
location of publication
supervisor
category
publisher
classifier
conference location
quartile
availibility
subject term
title
series
name of the person
TTÜ subject term
TTÜ department
url
keyword
All fields
author
co-contibutor
commentator
compiler
corporate author
editor
expert
interviewer
supervisor
translator
series variant title
title
translation of title
variant title
source
special issue
name of the institution
subject of form
subject of location
subject of time
subject term
series
series variant title
availibility
Open Access
category (general)
category (sub)
starts with
containes
exact match
All fields
Source search
Author search
Subject term search
Title search
source
author
DOI
year of publication
location of publication
supervisor
category
publisher
classifier
conference location
quartile
availibility
subject term
title
series
name of the person
TTÜ subject term
TTÜ department
url
keyword
All fields
author
co-contibutor
commentator
compiler
corporate author
editor
expert
interviewer
supervisor
translator
series variant title
title
translation of title
variant title
source
special issue
name of the institution
subject of form
subject of location
subject of time
subject term
series
series variant title
availibility
Open Access
category (general)
category (sub)
starts with
containes
exact match
All fields
Source search
Author search
Subject term search
Title search
source
author
DOI
year of publication
location of publication
supervisor
category
publisher
classifier
conference location
quartile
availibility
subject term
title
series
name of the person
TTÜ subject term
TTÜ department
url
keyword
All fields
author
co-contibutor
commentator
compiler
corporate author
editor
expert
interviewer
supervisor
translator
series variant title
title
translation of title
variant title
source
special issue
name of the institution
subject of form
subject of location
subject of time
subject term
series
series variant title
availibility
Open Access
category (general)
category (sub)
starts with
containes
exact match
All fields
Source search
Author search
Subject term search
Title search
source
author
DOI
year of publication
location of publication
supervisor
category
publisher
classifier
conference location
quartile
availibility
subject term
title
series
name of the person
TTÜ subject term
TTÜ department
url
keyword
All fields
author
co-contibutor
commentator
compiler
corporate author
editor
expert
interviewer
supervisor
translator
series variant title
title
translation of title
variant title
source
special issue
name of the institution
subject of form
subject of location
subject of time
subject term
series
series variant title
availibility
Open Access
category (general)
category (sub)
starts with
containes
exact match
—
All fields
Source search
Author search
Subject term search
Title search
source
author
DOI
year of publication
location of publication
supervisor
category
publisher
classifier
conference location
quartile
availibility
subject term
title
series
name of the person
TTÜ subject term
TTÜ department
url
keyword
All fields
author
co-contibutor
commentator
compiler
corporate author
editor
expert
interviewer
supervisor
translator
series variant title
title
translation of title
variant title
source
special issue
name of the institution
subject of form
subject of location
subject of time
subject term
series
series variant title
availibility
Open Access
category (general)
category (sub)
starts with
containes
exact match
—
Add criteria
Simple search
filter
Clear
×
types of item
book
..
journal article
..
newspaper article
..
book article
..
dissertation
..
Open Access
..
Scientific publication
..
year
year of publication
Loading..
author
Loading..
TTÜ department
Loading..
subject term
Loading..
series
Loading..
name of the person
Loading..
keyword
Loading..
Clear
Number of records
2
Look more..
(1/96)
Export
export all inquiry results
(2)
Save TXT fail
Save PDF fail
print
Open for editing with marked entries
my bookmarks
display
Bibliographic view
Short view
sort
author ascending
author descending
year of publication ascending
year of publication descending
title ascending
title descending
1
journal article EST
/
journal article ENG
Shortfall of B3LYP in reproducing NMR JCH couplings in some isomeric epoxy structures with strong stereoelectronic effects : a benchmark study on DFT functionals
Adamson, Jasper
;
Nazarski, Ryszard B.
;
Jarvet, Jüri
;
Pehk, Tõnis
;
Aav, Riina
ChemPhysChem
2018
/
p. 631-642 : ill
https://doi.org/10.1002/cphc.201701125
Journal metrics at Scopus
Article at Scopus
Journal metrics at WOS
Article at WOS
journal article EST
/
journal article ENG
2
journal article
Supramolecular chirogenesis in a sterically hindered Porphyrin : a critical theoretical analysis
Osadchuk, Irina
;
Luts, Hanna-Eliisa
;
Norvaiša, Karolis
;
Borovkov, Victor
;
Senge, Mathias O.
Chemistry : a European journal
2023
https://doi.org/10.1002/chem.202301408
journal article
Number of records 2, displaying
1 - 2
keyword
96
1.
density functional calculations
2.
density functional theory
3.
ab initio calculations
4.
analytic calculations
5.
anharmonic calculations
6.
dwell-time calculations
7.
energy calculations
8.
force field calculations
9.
quantum chemical calculations
10.
sab initio calculations
11.
thermodynamic calculations
12.
bimodal high-density polyethylene (HDPE) PE100
13.
composite winding density control
14.
current density
15.
density
16.
density currents
17.
density dependence
18.
density distributions
19.
density forecasts
20.
density of representation
21.
Density-driven overfows
22.
direct density ratio estimation
23.
directional power spectral density
24.
dislocation density
25.
doping density
26.
field density in tissue
27.
high-density apolipoprotein A
28.
hyper-branched linear low density PE
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 cholesterol
36.
low-density polyethylene
37.
low-density-polyethylene
38.
magnetic flux density
39.
material density
40.
medium density fibreboard (MDF) cracking
41.
oxidized low-density lipoproteins
42.
power spectral density
43.
probability density function
44.
projected device density of states (PDDOS)
45.
relative 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 BIST
55.
functional capacity of cooperation
56.
functional capacity of integration
57.
functional complexes
58.
functional components
59.
functional connectivity
60.
functional data analysis
61.
functional derating
62.
functional de-rating
63.
functional diversity
64.
functional equivalence principle
65.
Functional Failure Rate (FFR)
66.
functional fault model
67.
functional food
68.
functional gene analysis
69.
functional groups
70.
functional institutional analysis
71.
functional ionic liquids
72.
functional iteration
73.
functional material
74.
functional materials
75.
functional models
76.
functional morphology
77.
functional polymer
78.
functional power plants
79.
functional power-plants
80.
functional prediction
81.
functional properties
82.
functional reactive programming
83.
functional requirements
84.
functional safety
85.
functional self-test
86.
functional smoothie
87.
Functional specialist in AI for public services
88.
functional state of the muscles -tiredness
89.
functional stress programs
90.
functional test generation
91.
functional verification
92.
high-level functional fault model
93.
hybrid functional
94.
non-robust and functional sensitization
95.
non-robust and functional sensitization of delay faults
96.
size of functional groups
×
vaste
starts with
ends with
containes
sort
Relevance
ascending
descending
year of publication
author
TTÜ department
subject term
series
name of the person
keyword
Otsing
Valikud
0
year of publication
AND
OR
NOT
author
AND
OR
NOT
TTÜ department
AND
OR
NOT
subject term
AND
OR
NOT
series
AND
OR
NOT
name of the person
AND
OR
NOT
keyword
AND
OR
NOT