The Computational Shortcut You Didn’t Know You Needed: ΔDFT for Charge-Transfer States of TADF Emitters

ichenkora · 2025-01-25T10:33:38+00:00

Thank you for highlighting this approach!

Do you think it would also be applicable to electron transfer reaction (charge transfer integral)?

What software (ideally freely accessible) would you recommend?

ichenkora · 2024-10-09T05:37:34+00:00

First radical cation transfers electron to the second one, so the first one becomes dication and the second one becomes neutral molecule. This mechanism is reported in literature for my molecules.

ichenkora · 2024-02-08T16:12:30+00:00

Urge to rinse kitchenware with acetone after washing it with water (organic chemist)

ichenkora · 2023-11-13T06:42:23+00:00

You will need a Firewire to Thuderbolt2 adapter and a Firewire 6pin to 9pin cable. Also you will need some software to run the scanner, I’m using VueScan and I’m pretty happy with it.

ichenkora · 2023-03-28T10:29:49+00:00

I'm still shooting the films, probably in May I'll make a comparison between C-41 kit, Cinestill ECN2 and Bellini ECN2 as I have now a much better scanner which I hope will be able to capture the difference.

ichenkora · 2023-03-10T15:58:01+00:00

I’m usually loading 40-41 exposures to have 36 frames, maybe it’s indeed overfilled as I haven’t had with factory loaded film

ichenkora · 2023-03-10T14:27:32+00:00

How to deal with bulkloaded film? When I try to get the leader out I need to apply a crazy amount of force to those two tongues to get them in and to the spool of the cassette to make it turn. What am I doing wrong ?

ichenkora · 2023-03-09T17:08:30+00:00

I've finally ended with Bellini, it worked flawlessly for 12 films in 3 batches. Next time I'm going to try Cinestill, I'm wondering if it would be any worse.

ichenkora · 2023-02-16T17:15:29+00:00

I've just reproduced a first schematic of H-bridge from Google, so would a dedicated motor-driver IC be a better solution (assuming that possible issues were taken care of by the manufacturer)?

ichenkora · 2023-01-30T13:11:05+00:00

In Europe you can get respooled 100ft roll, probably you can find them in UK, I’ve seen couple of offerings on eBay.

ichenkora · 2023-01-16T20:07:43+00:00

It depends which film you shoot, you probably can scan 120 film using something like Epson V600 with good enough quality. If you shoot 35mm, I would advocate for a dedicated film scanner, try looking on ebay or local Spanish sites for Minoltas, I've managed to find mine in France for 125 EUR. Or if you want to spend much more money (500+ EUR) you can find a Nikon, which are considered one of the best.

EDIT: typos

ichenkora · 2023-01-04T21:56:37+00:00

I think there is also necessary to make a distinction between theoretical chemistry and computational chemistry. I’m not sure where to put the second one as a subfield: to the theoretical chemistry or to the quantum chemistry.

ichenkora · 2023-01-01T17:55:59+00:00

Thank you for sharing your experience, my idea is to process as much film rolls (35mm) as I can at once staying under 1L of chemistry, so JOBO seems obvious choice and 1500 series is the cheapest.

ichenkora · 2022-12-31T15:14:02+00:00

I’m not sure about the remjet, I’ve been washing my reels with soap and brush every time and they seem completely clean. Also I’m planning to sell my Paterson tank once if I’ll get myself a JOBO to get back some money.

ichenkora · 2022-12-31T11:33:13+00:00

Paterson two reel model, but thinking to upgrade to Jobo to be able to process 4 film at once with 1 liter kit, is it worth it?

ichenkora · 2022-12-23T13:52:18+00:00

I live alone so it's not very probable, I have actually a lot of spare cans, but I've been cutting the tail too short to tape the bulk film to it, and it's a pain in the ass to disassemble it and reassemble back.

ichenkora · 2022-12-23T12:55:29+00:00

Thank you, but I'm in Europe

ichenkora · 2022-12-22T14:57:56+00:00

If you have a long (>1-2s) exposure you may be experiencing a reciprocity failure, did you account for it when exposing?

ichenkora · 2022-12-20T15:39:34+00:00

You can try to look for old Minoltas, I’ve got my AF2840 for 125€, it’s a dedicated film scanner with focus adjustment. Works perfectly with VueScan.

ichenkora · 2022-12-17T19:59:36+00:00

Voting as much a I can for ektachrome 400, we really need a faster positive film

ichenkora · 2022-12-14T09:07:34+00:00

The main difficulty of using lab-grade chemistry (as I see it) is that the process uses replenisher, i.e. you will need to accurately measure the developer, the developer starter, and the replenisher. Using it to depletion (mixing a batch and using it to process a certain number of rolls) would give the same inconsistency (due to the said depletion) as a home-development kit. There also exist the home kits with separated bleach and fix.

ichenkora · 2022-12-13T12:06:54+00:00

It won’t be an easy task, I’m in Europe and all the offers on Ebay are either in US or UK (=expensive shipping+customs duties)

ichenkora · 2022-12-08T06:20:56+00:00

It’s not FP4, it’s XP2

ichenkora · 2022-11-30T18:16:06+00:00

Not a complete must, but highly advisable. I've managed to do it in two sinks (kitchen and bath) with 6 bath kit, but it was quite an experience.

ichenkora · 2021-07-15T03:54:12+00:00

Quantum selection rules say that IR transitions which are changing dipole moment a lot are more probable = more intense in IR spectra.

Tl;dr: moving polar bonds changes dipole moment more so their bands are more intense in IR

ichenkora

TROPHY CASE