A Computational Approach to the Effects of Solvent on the Structural, Electronic, Spectroscopic (195 Pt NMR and IR), and Thermochemical Properties of a Third-Generation Anticancer Drug: Trans -Platinum(II) Complex of 3-Aminoflavone

2017 ◽  
Vol 64 (8) ◽  
pp. 934-939 ◽  
Author(s):  
Reza Ghiasi ◽  
Nasrin Sadeghi
Keyword(s):  
Anticancer Drug ◽  
Computational Approach ◽  
Third Generation ◽  
Thermochemical Properties

Neutral and Acidic Hydrolysis Reactions of the Third Generation Anticancer Drug Oxaliplatin

2009 ◽  
Vol 113 (3) ◽  
pp. 831-838 ◽  
Author(s):  
Maria Fatima A. Lucas ◽  
Matěij Pavelka ◽  
Marta E. Alberto ◽  
Nino Russo
Keyword(s):  
Anticancer Drug ◽  
Third Generation ◽  
Acidic Hydrolysis ◽  
The Third ◽  
Hydrolysis Reactions

The Degradation Pathways in Chloride Medium of the Third Generation Anticancer Drug Oxaliplatin

2008 ◽  
Vol 112 (35) ◽  
pp. 10765-10768 ◽  
Author(s):  
Marta E. Alberto ◽  
Maria F. Lucas ◽  
Matěj Pavelka ◽  
Nino Russo
Keyword(s):  
Anticancer Drug ◽  
Degradation Pathways ◽  
Third Generation ◽  
Chloride Medium ◽  
The Third

Interactions of the 5-fluorouracil anticancer drug with DNA pyrimidine bases: a detailed computational approach

2015 ◽  
Vol 27 (2) ◽  
pp. 487-504 ◽  
Author(s):  
Leila Hokmabady ◽  
Heidar Raissi ◽  
Azadeh Khanmohammadi
Keyword(s):  
Anticancer Drug ◽  
Computational Approach ◽  
Pyrimidine Bases

Application of Modified Bloch Waves to Image Analysis of Extended Linear Defects

1974 ◽  
Vol 32 ◽  
pp. 402-403
Author(s):  
S. Nakahara ◽  
D. M. Maher
Keyword(s):  
Image Analysis ◽  
Computational Approach ◽  
Dislocation Loops ◽  
Plane Wave Expansion ◽  
Dynamical Equations ◽  
Bloch Waves ◽  
Linear Defects ◽  
Imperfect Crystal ◽  
Localized Defects ◽  
Defective Crystals

Since Head first demonstrated the advantages of computer displayed theoretical intensities from defective crystals, computer display techniques have become important in image analysis. However the computational methods employed resort largely to numerical integration of the dynamical equations of electron diffraction. As a consequence, the interpretation of the results in terms of the defect displacement field and diffracting variables is difficult to follow in detail. In contrast to this type of computational approach which is based on a plane-wave expansion of the excited waves within the crystal (i.e. Darwin representation ), Wilkens assumed scattering of modified Bloch waves by an imperfect crystal. For localized defects, the wave amplitudes can be described analytically and this formulation has been used successfully to predict the black-white symmetry of images arising from small dislocation loops.

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