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21 research outputs found

Atomic Coordination Reflects Peptide Immunogenicity

Author: Agudelo
Amsterdam Density Functional (ADF) Program
Antipas
Antipas
Antipas
Antipas
Antipas
Antipas
Becke
Beroza
Ding
Elovaara
Gakamsky
Kannagi
Lee
Li
Pique
PRDF
Schamel
Stojilovic
Sundaram
Tanaka
te Velde
van der Merwe
van der Merwe
Wan
Wan
Publication venue: 'Frontiers Media SA'
Publication date
Field of study

Bonding in [CuNRR’]4 type clusters

Author: A. D. Becke
Amsterdam Density Functional (ADF)
C. Lee
Chen Zhida
E. Clementi
Guangxian Xu
Guangxian Xu
J. E. Huheey
J. G. Snijders
J. P. Perdew
J. P. Perdew
L. Versluis
M. Kenneth
R. Hoffmann
S. F. Boys
Wang Bingwu
Xu Guangxian
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

The Coordination Geometry of Np(VII) in Alkaline Solution

Author: Amsterdam Density Functional 0
Ankudinov A. L.
Antonio M. R.
Antonio M. R.
Appelman E. H.
Clark D. L.
Clark D. L.
Cohen D.
Conversion
Data
Grigor'ev M. S.
Hudson E. A.
Krot N. N.
Perdew J. P.
Shilov V. P.
Spitsyn V. I.
Wahlgren U.
Zielen A. J.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Molecular and Crystal Structures of Cubane-like Ru−O Complexes and the Molecular Orbital Analysis of an Unusual π−π Interaction Stabilized by C−H···O Hydrogen Bonds

Author: Amsterdam Density Functional
Aubin S. M. J.
Aullon G.
Baerends E. J.
Becke A. D.
Bennet M. A.
Bodensieck U.
Braga D.
Braga D.
Braga D.
Gould R. O.
Hung Y.
Johnson B. F. G.
Keller E.
Kim T. D.
Parr R. G.
Sheldrick G. M.
Spek A. L.
Suzuki S.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

First Observation of Photoinduced Nitrosyl Linkage Isomers of Iron Nitrosyl Porphyrins

Author: Carducci M. D.
Carlson M. L.
Cheng L.
Coppens P.
Delley B.
Ellison M. K.
Fomitchev D. V.
Fomitchev D. V.
Fomitchev D. V.
Fomitchev D. V.
Ford P. C.
Hoshino M.
Miller L. M.
Morlino E. A.
Morlino E. A.
Scheidt W. R.
Scheidt W. R.
The Amsterdam Density Functional
The C N, O
Walda K. N.
Zavarine I. S.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Molecular Structure and C−O Stretch Frequencies of the Cobalt Carbonyls Co(CO) n

Author: Adamo C.
Amsterdam Density Functional
Antolovic D.
Barnes L. A.
Becke A. D.
Bidinosti D. R.
Blomberg M.
Blomberg M.
Burdett J. K.
DeKock R. L.
Elian M.
Fan L.
Fieldhouse S. A.
Fischer F.
Hanlan L. A.
Huber K. P.
Jonas V.
Keller H. J.
McNeill E. A.
Peden C. H.
Perdew J.
Rest A. J.
Snijders J. G.
Sweany R. L.
Velde G.
Vosko S. H.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Advances in bonding and properties of inorganic systems from relativistic calculations in Latin America

A New Iron(II) Mixed Sandwich Featuring a Hybrid h6-Zwitterionic/h5-Iminocyclohexadienyl Structure

Author: Amsterdam Density Functional
Andrianov V. G.
Astruc D.
Astruc D.
Astruc D.
Bottrill M.
Butler I. R.
Figueroa W.
For
Hamon J.-R.
Helling J. F.
Johnson J. W.
Lacoste M.
Lee C. C.
Manzur C.
Manzur C.
Manzur C.
Manzur C.
Manzur C.
Martinez V.
Mathew M.
Michaud P.
Moinet C.
Muller P.
Spectroscopic IR
Trujillo H. A.
Turculet L.
Verluis L.
Vosko S. D.
Zaworotko M. J.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Cation affinities throughout the periodic table

Author: Amsterdam Density Functional program Software for Chemistry & Materials NV, Vrije Universiteit, Amsterdam, www.scm.com
Aresta
Bartmess
Bento
Bickelhaupt
Bickelhaupt
Bickelhaupt
Bickelhaupt
Bickelhaupt
Bickelhaupt
Blondel
Bon
Born
Boughlala
Boughlala
Bradforth
Brauman
Brewer
Bui
Burk
Clayden
Cook
Cox
Ellis
Ellison
Ervin
Ervin
Gal
Graul
Grimme
Gurvich
Hamlin
Hanstorp
Harich
Hill
Hunter
Kandel
Kim
Klamt
Kolboe
Laloo
Laloo
Laurence
Lessio
Lewis
Lewis
Li
Lias
Martin
Martin
Mayeux
Mordaunt
Mordaunt
Moser
Mulder
Mulliken
Murray
Olah
Onsager
Pye
Reed
Ruiz
Ruiz
Ruscic
Schofield
Scribner
Shiell
Shiell
Smith
Smith
Smith
Smith
Stoyanov
Stoyanov
Swart
Swart
Swart
Szulejko
Terentis
Tsang
Uggerud
Wade
Wickham-Jones
Wolters
Wong
Yue
Zaccaria
Zhekova
Ziegler
Ziegler
Ziegler
Publication venue: 'Elsevier BV'
Publication date: 01/01/2019
Field of study

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Radboud Repository (Radboud Univ.)

Guest-host interaction in an aza crown analog

Author: Abramov
Amsterdam Density Functional (ADF) program
Bader
Barnes
Becke
Beckmann
Begel
Bertrand
Bittererova
Bittererova
Bushmarinov
Cacace
Cacace
Chai
Chen
Chen
Cremer
Cremer
Delgado
Dietrich
El-Barghouthi
Exner
Exner
Fallah-Bagher-Shaidaei
Frisch
Geier
Glendening
Glendening
Glendening
Gokel
Gokel
Grimme
Grimme
Grimme
Hohenstein
Hückel
Juríček
Kim
Kimura
Kozak
Lee
Liang
Lindoy
Liu
Luca
Maleknia
Martell
Perdersen
Perdew
Perdew
Petrović
Puchta
Puchta
Reed
Rennie
Sargent
Savin
Schleyer
Schleyer
Schleyer
Schleyer
Simmons
Stephens
Tsukube
Vosko
Wiberg
Zhao
Zhao
Publication venue: 'Wiley'
Publication date
Field of study

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