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Alternative python modules to RDKit to convert SMILES to structure

Python module RDKit is great, but it cannot be installed by pip, and therefore it is difficult to use it sometimes in a virtual environment. I am wondering that if there are some alternative python modules that can convert smiles to chemical structures?

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On the localized screening of cerium (when compared to iron)

I was reading the paper ‘A linear response approach to the calculation of the effective interaction parameters in the LDA+U method’ by Cococcioni – (Paper here) . Quoting from the first paragraph on page 9, ‘The screening in metallic cerium is extremely localized..‘. Even though this section deals with the calculation of the Hubbard ‘U’ […]

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Which elements and how much of them (percentage) does charcoal made in 300C contain?

I want to make brown powder [link] but i don’t know whether KNO3, charcoal or both take place of sulfur, so I want to write the reaction down to have some idea of where I should start.

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How do you calculate the amount of substance from molar mass and volume

I am struggling with one calculation and it goes like this: Calculate, how much of $\ce{CO2}$ is made during the reaction: $\ce{2CO + O2}$, if we use $\pu{33,6 dm^3}$ of $\ce{O2}$, also calculate the amount of $\ce{CO}$ used. M(CO)=28, M(CO2)=44. The answer is $\pu{132 g}$ of $\ce{CO2}$ and $\pu{67,2 L}$. I especially don’t know how […]

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Oxidation to allylic alcohols without stoichiometric metal reagents

Common methods of oxidation of alkenes to allylic alcohols in one step usually use stoichiometric metal oxidants e.g. sodium dichromate. Without using this type of reagent, are the other methods typically peroxide forming, requiring further chemistry to adjust to the allylic alcohol e.g. allylic hydroperoxides or t-butyl peroxides , or are there more “direct” methods?

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Question regarding the relation between stability and symmetry of crystal structures

I was wondering if a the space groups which are usually described as having ‘high’ symmetry (e.g. Cubic) can be considered to be more or less stable compared to space groups with ‘low’ symmetry. The reason I ask is a paper I was reading, observed that inter metallic compounds which crystallizes in the NiAs, FeSi […]

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Bondings – Chemistry [closed]

Can anyone please answer these questions? I have deadline in 30 min, I forgot this because my dad was at host for heart attack… please help me:( State the bond that exists between two bromine atoms in a bromine molecule. State the bond that exists between two bromine molecules in a bottle of bromine. Indicate […]

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It’s an electrochemistry question [closed]

Molten aluminum iodide is electrolyzed using graphite electrodes: -Write the overall electrolytic cell reaction (physical states are required).

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CN-1 and CO are pi acceptor ligands how they bond with metal atom and how they differ from each other? [closed]

explanation with MOT diagram that how both CN-1 and CO form complexes with transition metals.

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Why does a molecule have to be planar for resonance to occur?

I’ve learned that for resonance to occur, all atoms in the molecule should lie in the same plane so that the p-orbitals responsible for resonance are parallel to each other. But why is that? What’s stopping the electrons from delocalizing if they aren’t in the same plane?