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3 research outputs found
Optimized auxiliary basis sets for density fitted post-Hartree–Fock calculations of lanthanide containing molecules
Author
CFOUR a quantum chemical program package written by
Frisch M.J.
+4 more
Jiří Chmela
Michael E. Harding
TURBOMOLE V7.0 2015
Werner H.-J.
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref
Experimental and theoretical insight into the extraction mechanism, kinetics, thermodynamics, complexation and radiolytic stability of novel calix crown ether in ionic liquid with Sr2+
Author
ADF
Anil Boda
+76 more
Arijit Sengupta
Baiab
Becke
Bhattacharjee
Billard
Blasius
Boda
Boda
Bonnaffé-Moity
Briggs
Bugai
Chakraborty
Chaumont
Chiarizia
Choppin
Cocalia
Dietz
Dietz
Dinarès
Dumpala
Ethirajan
Ewing
Giridhar
Grüner
Gupta
Hoogerstraete
Hu
Iwata
Jebur
Jensen
Jensen
Kamaz
Kislik
Klamt
Klamt
Koch
Kubota
Lee
Leoncini
McDowell
Mohapatra
Mohapatra
Neese
Ouadi
Pahan
Priya
Priya
Reddy
Rout
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Sengupta
Shkrob
Shkrob
Singh
Singh
Singh
Sk. Jayabun
Sk. Musharaf Ali
Sun
Sunita Pathak
Suzuki
te Velde
TURBOMOLE V7.0
Zakurdaeva
Zhao
Zheng
Zhu
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Dicationic and monocationic benzobisthiazolium salts as potential NLO chromophores
Author
Aidas
Aksungur
+91 more
Alexandra Čibová
Andrea Martinická
Bauernschmitt
Brédas
Buckley
Cao
Carlotti
Cañeque
Ch
Chang
Chen
Chiu
Cicchi
Cigáň
Coe
Cossi
Dalton
Dirac
Dušan Chorvát
Erande
Ferrighi
Frediani
Frisch
Fromherz
Fülöpová
Grolleau
Grolleau
Holzmüller
Hou
Hrobárik
Hu
Josse
Kikaš
Kim
Kim
Klymchenko
Kovalska
Kumar
Li
Li
Lin
Liu
Liu
Liu
Liu
Lu
Luo
Marek Cigáň
Martin Uherek
Miertuš
Mikkelsen
Nikolova
Nivetha
Nketia-Yawson
Olsen
Paschoal
Paschoal
Patil
Pavol Zahradník
Pei
Peng
Perdew
Perdew
Perdew
Peter Magdolen
Puckyte
Scalmani
Seintis
Shan
Slater
Su
Sun
Szlachcic
Teshome
Tokar
Treutler
TURBOMOLE V7.0
Wang
Wang
Weigend
Weigend
Weigend
Wong
Yanai
Ye
Zafar
Zampetti
Zhao
Zyss
Čibová
Čibová
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref