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Axel D. Becke
Known as:
Axel Becke
, Becke
Axel Dieter Becke (born June 10, 1953) is a physical chemist and Professor of Chemistry at Dalhousie University, Canada. He is a leading researcher…
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Density functional theory
Papers overview
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2018
2018
UZ 200. OBLJETNICU ROĐENJA IGNAZA PHILIPPA SEMMELWEISA
Bruno Atalić
2018
Corpus ID: 189137899
Ignaz Phillip Semmelweis znacajan je za povijest medicine zbog svojeg otkrica uzroka puerperalne sepse, do kojega je dosao…
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2017
2017
DFT study of small compounds based on thiophene and benzo [ 1 , 2 , 5 ] thiadiazole for solar cells : correlation-structure / electronic properties
A. El Alamy
,
A. Amine
,
+4 authors
M. Bouachrine
2017
Corpus ID: 189798881
In this work, we report theoretical analysis on the geometries and optoelectronic properties of new small conjugated compounds…
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2015
2015
Electronic band structures of binary skutterudites Banaras
Khan
,
H. A. Rahnamaye Aliabad
,
S. Jalali-Asadabadi
,
I. Khan
,
I. Ahmad
2015
Corpus ID: 55613942
The electronic properties of complex binary skutterudites, MX3 (M 1⁄4 Co, Rh, Ir; X 1⁄4 P, As, Sb) are explored, using various…
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2014
2014
Fullerene effect on chemical properties of antihypertensive clonidine in water phase
R. Ahmadi
,
Mandana Pirahan-Foroush
2014
Corpus ID: 67765194
Purpose: Today considerable advances have been achieved in application of nano-particles. Fullerene is one of the artificial…
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2014
2014
Tran Blaha Modified Becke-Johnson Potential Band Structure Including Spin Orbit Interaction
Sudhir Kumar
,
S. Pandey
,
Sushil Auluck
,
K. Marg
2014
Corpus ID: 91685730
We have used full potential linear augmented plane wave method within density functional theory to study the electronic and…
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2013
2013
Axel D. Becke (Draft Profile)
A. Becke
2013
Corpus ID: 102174987
Axel is interested in the development of new theoretical and computational methods for the electronic structure of atoms…
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2002
2002
Nachhaltiges Wirtschaften durch dialogorientiertes und systemisches Kennzahlenmanagement
Ursula Ammon
,
G. Becke
,
Thomas Göllinger
,
F. Weber
2002
Corpus ID: 111817170
Empfohlene Zitierung / Suggested Citation: Ammon, U., Becke, G., Göllinger, T., & Weber, F. M. (2002). Nachhaltiges Wirtschaften…
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2001
2001
Glyoxal photodissociation . II . An ab initio direct classical trajectory study of C 2 H 2 O 2 \ CO ¿ H 2 CO
Xiaosong Li
,
J. Millam
,
H. Schlegel
2001
Corpus ID: 145025194
Photodissociation of glyoxal via the H 2CO1CO channel has been investigated by ab initio classical trajectory calculations using…
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Review
1999
Review
1999
(Book Review) Bad Colonists: The South Sea letters of Vernon Lee Walker and Louis Becke
C. Moore
1999
Corpus ID: 160429547
1983
1983
Religious Vocation as a Latent Identity for School Principals
P. Clancy
1983
Corpus ID: 18888165
This paper is concerned with studying schools as organisations . The effects of religious vocation as a latent identity of school…
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