CORE
🇺🇦
make metadata, not war
Services
Research
Services overview
Explore all CORE services
Access to raw data
API
Dataset
FastSync
Content discovery
Recommender
Discovery
OAI identifiers
OAI Resolver
Managing content
Dashboard
Bespoke contracts
Consultancy services
Support us
Support us
Membership
Sponsorship
Community governance
Advisory Board
Board of supporters
Research network
About
About us
Our mission
Team
Blog
FAQs
Contact us
Filters
5 research outputs found
Charge transfer optical absorption and fluorescence emission of 4-(9-acridyl)julolidine from long-range-corrected time dependent density functional theory in polarizable continuum approach
Author
A.V. Kityk
Balanay
+39 more
Balanay
Becke
Becke
Dreuw
Frisch
Ga¸siorski
Ga¸siorski
Gill
Guo
Herbich
Herbich
Iikura
Jayapal
Kamiya
Kityk
Krukau
Kurashige
Lee
Leininger
Lippert
Liu
Mataga
Onsager
Peverati
Praveen
Praveen
Reish
Rohrdanz
Rohrdanz
Sato
Sato
Savin
Stephens
Tawada
Vydrov
Vydrov
Wodrich
Wong
Wong
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
C60 capping of metallic 2D Tl-Au compound with preservation of its basic properties at the buried interface
Author
A.A. Saranin
A.N. Mihalyuk
+59 more
A.V. Matetskiy
A.V. Zotov
A.Y. Tupchaya
Bao
Becke
Blöchl
Chen
D.A. Olyanich
D.V. Gruznev
Ferreira
Ferreira
Grimme
Gruznev
Gruznev
Gruznev
Gruznev
Hikami
Hsu
Ichinokura
Jalali-Asadabadi
Kim
Kim
Kresse
Kresse
Krukau
Kwon
L.V. Bondarenko
Lee
Li
Li
Lin
Matetskiy
Matetskiy
Mihalyuk
Mo
N.V. Denisov
Nakamura
Nakamura
Olyanich
Osiecki
Perdew
S.V. Eremeev
Sun
Sun
Sun
T.V. Utas
Tanaka
Tang
Tang
Tran
V.V. Mararov
Vitali
Wang
Weaver
Yamada
Zhang
Zhao
Zhao
Zotov
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Synthesis, UV–Vis spectroscopy and DFT/TDDFT calculations on 6-substituted halogen derivatives of 1,3-diphenyl- 1
Author
A. Danel
A.V. Kityk
+69 more
Arroudj
Ayadi
Balanay
Becke
Becke
Całus
Danel
Dreuw
E. Gondek
Fariola
Gill
Gąsiorski
Gąsiorski
Gąsiorski
Herbich
Huang
Improta
Improta
Jones
K. Wojtasik
Kapturkiewicz
Kim
Kim
Kityk
Kityk
Koścień
Krukau
Kurasawa
Kurasawa
Kurasawa
Kurashige
Kwon
Lakshmanan
Laurent
Lee
Lee
Lee
Lewis
Lippert
M. Matusiewicz
Mac
Mac
Mataga
Mongage
Nizioł
Onsager
Ortega
P. Gąsiorski
Pascual-Ahuir
Qu
R. Vlokh
Sachs
Sato
Savin
Shaheen
Stephens
T. Uchacz
Talik
Tang
Tao
Tawada
Ulla
Vydrov
Wang
Wodrich
Yang
Yang
Zhang
Zhao
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Exploration of n- and p-type doping for two-dimensional gallium nitride: charged defect calculation with first principles
Author
A. Alkauskas
A.V. Krukau
+37 more
Bing Lv
C. Freysoldt
C. Freysoldt
C.G. Van de Walle
D. Wang
D.O. Demchenko
F. Shahedipour
F. Shahedipour
G. Kresse
H. Gao
H.P. Komsa
I.C. Diallo
J.-B. Li
J.-K. Sheu
J.L. Lyons
J.L. Lyons
J.L. Lyons
J.L. Lyons
J.L. Lyons
J.P. Perdew
K.S. Novoselov
M.R. Ahmadpour Monazam
N. Berseneva
P. Deák
P.E. Blöchl
R. González
S.P. Ong
T. Mattila
X. Liu
X. Wang
X. Zhang
Xin Yang
Xiuzhang Yang
Xuefei Liu
Y. Chen
Z.Y. Al Balushi
Zijiang Luo
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
A complete DFT description on structural, electronic, elastic, mechanical and thermodynamic properties of some intermetallic AuX2 (X = Al, Ga, In) compounds
Author
A. Haddoul
A. Reuss
+50 more
A.N. Mansour
A.T. Petit
A.V. Krukau
B.T. Matthias
C.-F. Yu
C.-F. Yu
D.G. Pertifor
E.A. Moore
F. Birch
G. Chen
G. Kresse
G. Murtaza
G.V. Sin’ko
H. Lu
H.J. Monkhorst
J. Haines
J. Liang
J. Wang
J.-P. Jan
J.P. Perdew
K. Schwarz
K.M. Wong
L. Hedin
L. Mohammedi
L.-S. Hsu
Li-Shing Hsu
Li-Shing Hsua
M. Rajagopalan
Md.Z. Rahaman
O.M. Abid
Otero-de-la-Roza
R. Hill
R.A. Hein
S. Hufner
S.A. Dar
S.A. Dar
S.A. Dar
S.A. Dar
S.A. Dar
S.A. Dar
S.A. Dar
S.F. Pugh
T. An
T. Vergaard
V.J. Keast
W. Hume-Rothery
W. Voigt
Y. Terada
Y. Terada
Z. Wu
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref