6,930 questions with no upvoted or accepted answers
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### Single-molecule magnet with electrically-controlled permeability: How does the Titan Shield from Deus Ex work?

In a recent installment of Deus Ex game series there is an augmentation called "Titan Shield" (it has nothing to do with $\ce{Ti}$ element): A neodymium skin underlay matrix built of nano-...
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### How does the silver nucleate on glass in Tollen's reagent mirroring?

I want to know the exact mechanism for how silver would start to grow during a mirroring with Tollen's reagent. I've made two pictures to illustrate how I see the nucleation/growth process of silver ...
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### Melting and boiling point trend in Group II

The following picture shows the melting and boiling point trends down group II elements. I have added question marks where the variability in data was rather disturbing (over two hundred degrees ...
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### Ambimodal transition states in some organic reaction pathways

In many computational studies, mechanisms appear to have so-called ambimodal transition states, i.e. a transition state which can lead to multiple products, in conflict to the common undergraduate ...
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### f-electrons in chemistry of heavy transition metals

In one lecture on recent MCR-X conference I was puzzled by a side-note "f-hole is critical to describe DoS of $\ce{IrO2}$ correctly." The context was DFT periodic plane-wave calculations with ...
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### Manuals for a Cahn TG-171 Thermogravimetric Analyzer

Recently a Cahn TG-171 Thermogravimetric Analyzer was donated to my school. We did not get a service or user's manual with it, and some of it still needs to be put back together. I have tried to ...
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### In rovibrational spectra, when exactly is the Q branch forbidden?

I'm aware that the Q branch ($\Delta j = 0$) is usually not observed in rotational-vibrational spectra of diatomic molecules in the gas state, however, I've heard different things about when exactly ...
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### How to Calculate Transition Dipole Moment from Two Known Wavefunctions

I am interested in calculating the transition dipole moment (TDM) from the information from two wavefunctions of different states. This is somewhat similar to calculating the molecular dipole moment ...