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Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

Publications associées (33)

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Computational intelligence methods for the fatigue life modeling of composite materials

Anastasios Vassilopoulos

Novel computational methods such as artificial neural networks, adaptive neuro-fuzzy inference systems and genetic programming are used in this chapter for the modeling of the nonlinear behavior of composite laminates subjected to constant amplitude loadin ...

Elsevier2019

Advances in computational and statistical diffusion MRI

Alessandro Daducci

Computational methods are crucial for the analysis of diffusion magnetic resonance imaging (MRI) of the brain. Computational diffusion MRI can provide rich information at many size scales, including local microstructure measures such as diffusion anisotrop ...

2019

PRISMS: An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science

Anirudh Raju Natarajan, Zhouji Huang, Zheng Wang, Lin Qi

The Center for Predictive Integrated Structural Materials Science (PRISMS Center) is creating a unique framework for accelerated predictive materials science and rapid insertion of the latest scientific knowledge into next-generation ICME tools. There are ...

Springer Nature2018

Reprogramming the B1 Domain of Streptococcal Protein G (GB1)

Esra Bozkurt

Nature has the ability to cope with extreme pH, temperature and pressure, in addition to bestowing a wide array of functionalities to (bio)macromolecules. These specialized skills have attracted the interest of vast scientific communities especially in vie ...

EPFL2018

Accurate Characterization of the Pore Volume in Microporous Crystalline Materials

Berend Smit, Daniele Ongari, Peter George Boyd, Senja Dominique Barthel, Matthew David Witman

Pore volume is one of the main properties for the characterization of microporous crystals. It is experimentally measurable, and it can also be obtained from the refined unit cell by a number of computational techniques. In this work, we assess the accurac ...

American Chemical Society2017

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A series of cationic iridium(III) complexes with two carbene-based cyclometalating ligands and five different NN bipyridine and 1,10-phenanthroline ancillary ligands is presented. For the first time in the frame of a rarely studied class of bis(heterole ...

Amer Chemical Soc2015

Architectural structures such as buildings, towers, bridges and roofs are of fundamental importance in urban environments. Their design, planing, construction and maintenance carry numerous challenges in engineering due to the complex interplay of material ...

EPFL2015

Reactivity and Biological Properties of a Series of Cytotoxic PtI2(amine)(2) Complexes, Either cis or trans Configured

Angela Casini

Six diiodido-diamine platinum(II) complexes, either cis or trans configured, were prepared, differing only in the nature of the amine ligand (isopropylamine, dimethylamine, or methylamine), and their antiproliferative properties were evaluated against a pa ...

2012

Our investigation of the phenylalanine/serine (Phe/Ser) protonated dimer suggests that the intermolecular interaction between the two amino acids is more complex than could have been anticipated from previous studies of similar systems. Isomer-specific inf ...

2012

Computational approaches are breaking new ground in understanding how embryos form. Here, we discuss recent studies that couple precise measurements in the embryo with appropriately matched modeling and computational methods to investigate classic embryoni ...

2012