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Partial charge
Known as:
Partial
, Partial atomic charge
, Partial charges
A partial charge is a non-integer charge value when measured in elementary charge units. Partial charge is more commonly called net atomic charge. It…
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16 relations
CHELPG
CNDO/2
Chemical database
Distributed multipole analysis
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Broader (1)
Computational chemistry
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2016
2016
Conformational Analysis of a Potent Anticancer Drug 3-( 4-amino-1-oxo-1 , 3-dihydro-2 h-isoindol-2-yl ) Piperidine-2 , 6-Dione ( Lenalidomide )
A. F. James
,
Otuokere Ifeanyi Edozie
2016
Corpus ID: 41298884
Heterocyclic compounds are currently available as anticancer drugs. Multiple myeloma is a cancer of the blood, characterized by…
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2016
2016
Structural and Electronic Properties of Theophylline- InP Diamantane Drug Carrier
Yousif Abid Al Shaabani
,
B. B. Kadhim
,
F. Jasim
2016
Corpus ID: 73615173
Modeling and simulation of nanostructure parameters of Theophylline bound with indium phosphide in diamantane structure have…
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2012
2012
Synthesis, Characterization and Computational Study of Some New Heterocyclic Derived from 1-(biphenyl-4-yl)-3-(furan-2-yl)prop-2-en-1-one
A. F. Abbas
,
A. A. Turki
,
A. Hameed
2012
Corpus ID: 32148906
An efficient and practical synthesis of pyrazole, isoxazole and pyrmidine derivatives structures was achieved through cyclization…
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2007
2007
IMPROVED INCREMENTAL COST RELATED PRICING MODEL FOR USE-OF-SYSTEM PRICING
V. Levi
,
M. Attree
,
Simon Brooke
,
Mike Boxall
2007
Corpus ID: 56456175
This paper presents the findings of a project initiated in United Utilities to develop options for economic use-ofsystem charging…
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2006
2006
State space reduction using Predicate Filters
Sujatha Kashyap
,
V. Garg
2006
Corpus ID: 16101165
In a previous paper, we presented a technique called finite trace covers, in which a program is represented by a set of partial…
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2003
2003
Structure of 4-fluorophenol and barrier to internal -OH rotation in the S1-state
Christian Ratzer
,
M. Nispel
,
M. Schmitt
2003
Corpus ID: 12006682
The structure and barrier to internal rotation of 4-fluorophenol in the ground state and the electronically excited S1-state has…
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2002
2002
The Effect of Nicotinamide on Iron Corrosion in Chloride Solutions
Tunç Tüken
,
B. Yazıcı
,
M. Erbil
2002
Corpus ID: 55513287
The use of nicotinamide ``3-pyridineamide'' as an iron corrosion inhibitor was tested in aerated aqueous solutions of NaCl and…
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1998
1998
Constraints on Axion Models from K + → π + a
M. Hindmarsh
,
Photis Moulatsiotis
1998
Corpus ID: 17441934
We explore a new class of axion models in which some, but not all, of the left-handed quarks have a Peccei-Quinn symmetry. These…
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1994
1994
Chemical Bonds in Minerals: Topological Analysis of the Electron Localization Function
B. Silvi
1994
Corpus ID: 53482125
The characterization of the chemical bonds in minerals and particularly in silicates is a puzzling problem which is related to…
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1970
1970
On the relationship between molecular core binding energies and atomic charges
A. van der Avoird
1970
Corpus ID: 2834362
The linear relationship between molecular core binding energies (as measured by X-ray photoelectron spectroscopy or calculated by…
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