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4 research outputs found

Density Functional Complexation Study of Metal Ions with Cysteine

Author: Ahlrichs R.
Becke A. D.
Becke A. D.
Bell P.
Berthon G.
Bertini I.
Bock C. W.
Cosentino U.
Eichkorn K.
Eichkorn K.
Gronert S.
Kaufman Katz A.
Klamt A.
Li N. C.
Martin R. L.
Parr R. G.
Pearson R. G.
Pecul M.
Perdew J. P.
Perdew J. P.
Perdew J. P.
Pesonen H.
Pesonen H.
Pesonen H.
Pliego J. R.
Rulìsek L.
Rulìsek L.
Salaspuro V. J.
Sillanpää A. J.
Spezia R.
Spezia R.
Tanaka N.
Yuan Z.
Zucconi T. D.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Experimental and theoretical investigation of the molecular and electronic structure of N

Author: Allen
Bondi
Bulat
Casanovas
Cheeseman
Cimino
Clark
Clark
Coghi
Crews
Dehmlow
Dennington
Ditchfield
Ditchfield
Fast
Forsyth
Friesner
Frisch
Hehre
Helgaker
Ibatullin
Ibatullin
Lee
Murray
Murray
Murray
Murray
Murray
Murray
Murray
Nam
Okulik
Politzer
Politzer
Politzer
Politzer
Politzer
Politzer
Politzer
Rauhut
Riley
Rulìsek
Schlegel
Scrocco
Scrocco
Sebag
Shields
Shinagawa
Shivarama Holla
Swenson
Wolinski
Ziegler
Çukurovalı
Publication venue: 'Wiley'
Publication date
Field of study

Synthesis and comprehensive structural studies of a novel amide based carboxylic acid derivative: Non–covalent interactions

Author: Aghabozorg
Bader
Baryshnikov
Becke
Becke
Bennett
Boys
Chahkandi
Chahkandi
Chattopadhyay
Che
Cook
Costa
de Lima
Dioumaev
Egli
Eshtiagh-Hosseini
Eshtiagh-Hosseini
Friesner
Frisch
George
Ghose
Grigoryan
Hao
Heisler
Hirano
Jeffrey
Jurecka
Karakaya
Karaush
Karaush
Kim
Kolotova
L.i
Lee
Metrangolo
Minaev
Mirzaei
Mirzaei
Moazzam H. Bhatti
Mohammad Chahkandi
Montalbetti
Mooibroek
Muhammad Nadeem
Muhammad Nawaz Tahir
Parthasarthi
Reed
Renuga
Rulìsek
Shahida Shaheen
Uzma Yunus
Wang
Yunus
Zhou
Publication venue: 'Elsevier BV'
Publication date
Field of study

Comparison of GIAO and CSGT for calculating 13C and 15N nuclear magnetic resonance chemical shifts of substituent neutral 5-aminotetrazole and 5-nitrotetrazole compounds

Author: Adcock
Aliev
Ang
Avcı
Bader
Badgujar
Becke
Bocian
Casanovas
Castillo
Cimino
Cossi
Demko
Ditchfield
Ditchfield
Esrafili
Frisch
Galvez-Ruiz
Gauss
Geisberger
Goekce
Guillaume
Hammerl
Hammerl
Jain
Karaghiosoff
Karaghiosoff
Karaghiosoff
Keith
Keith
Keith
Klapötke
Klapötke
Klapötke
Klapötke
Klapötke
Kupka
Köhler
Levchik
London
Mareka
Ostrovskii
Palermo
Pan
Perdew
Pohl
Prosmitis
Rulìsek
Saielli
Sebag
Singh
Smith
Stevensson
Stierstorfer
Tormena
West
Wolinski
Xue
Ye
Zhao
Ziegler
Şenyel
Žáček
Publication venue: 'Wiley'
Publication date
Field of study

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