Search CORE

5 research outputs found

A Simple, Exact Density-Functional-Theory Embedding Scheme

Author: Becke A. D.
Cortona P.
Dahlke E.
Dunning T. H.
Dunning T. H.
Frederick R. Manby
Frisch M. J.
Fux S.
Goodpaster J. D.
Goodpaster J. D.
Gotz A. W.
Haharan P. C.
Henderson T. M.
Huang C.
Huzinaga S.
Jason D. Goodpaster
Krishnam R.
Lykos P. G.
Martina Stella
Mata R. A.
Nafziger J.
Pascual J. L.
Perdew J. P.
Phillips J. C.
Pipek J.
Pruitt S. R.
Rajchel Ł.
Roncero O.
Senatore G.
Severo Pereira Gomes A.
Stoll H.
Swerts B.
Taylor C. R.
Thomas F. Miller
Werner H.-J.
Wesolowski T.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Excitation Spectra Argue for Threadlike Shape of DNA-Stabilized Silver Fluorescent Clusters

Author: Alexei I. Kononov
Arey J. S.
Becke A. D.
Bonačić-Koutecký V.
Chiba M.
Choi S.
Díez I.
Díez I.
Gordon M.
Guidez E. B.
Haharan P. C.
Hammer B.
Han B.
Harb M.
Hay P. J.
Jensen L.
Kasha M.
Lecoultre S.
Lin Y.
Lu X.-J.
Matulis V. E.
Neidig M. L.
Oliveira L. B. A.
O’Neill P. R.
Parr R. G.
Richards C. I.
Ritchie C. M.
Runge E.
Ruslan R. Ramazanov
Schultz D.
Sevilla M. D.
Sharma J.
Shukla M. K.
Soto-Verdugo V.
Steenken S.
Varsano D.
Vasiliev I.
Voevodin V. V.
Wilcoxon J. P.
Xu H.
Yanai T.
Yu J.
Zhang J.
Zheng J.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Corrosion inhibition of mild steel in 1M HCl by D-glucose derivatives of dihydropyrido [2,3-d:6,5-d′] dipyrimidine-2, 4, 6, 8(1H,3H, 5H,7H)-tetraone

Author: A Chinnappan
A Farrán
A Farrán
A Yousefi
AD Becke
AD Becke
AM Al-Sabagh
AO Yuce
AS Amarasekara
C Chatterjee
C Chatterjee
C Coppola
C Lee
C Verma
C Verma
C Verma
C Verma
C Verma
C Verma
C Verma
C Verma
C Verma
CCJ Roothaan
CM Goulart
F Bentiss
F Jensen
G Andrés Cisneros
GM Schmid
H Kobayashi
I Ahamad
IB Obot
J Xie
J Zhao
KF Khaled
L Bai
L Chen
LR Chauhan
M Abdallah
M Chevalier
M Cossi
M Cossi
M Cossi
M Nourisefat
M Yadav
M Yadav
M Yadav
MA Amin
MA Amin
MA Migahed
MJ Climent
MJ Frisch
MM Khan
MMK Boysen
MW Schmidt
NO Obi-Egbedi
P Mourya
P Roy
P Singh
PC Haharan
PM Wadhwani
R Karthikaiselvi
R Kohlhaas
R Solmaz
R Yıldız
S Chen
S Gupta
S Issaadi
S Kayaa
SA Umoren
SB Ferreira
SL Mayo
T Clark
Y Sasikumar
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Zinc Induced a Dramatic Enhancement of the Nonlinear Optical Properties of an Azo-Based Iminopyridine Ligand

Does Water Relay Play an Important Role in Phosphoryl Transfer Reactions? Insights from Theoretical Study of a Model Reaction in Water and tert

core

core