Priyakumari C P

Asst. Prof., theo. chemist, @IiserMohali, @dcs_iisermohali

[Priyakumari C P @cppriyakumari]

Our latest work on metavalent bonding in phase change memory materials is now published in JPC C; https://t.co/K8KapT9fOd. Thanks @IiserMohali and @DCS_IISERMOHALI , and thanks @ANRFIndia for funding.

[Priyakumari C P @cppriyakumari]

@KozuchSebastian Thanks, may be you can try the structures 15, 16 and 17. You can get the coordinates of these and the corresponding transition states from the supplimentary information (zip folder of coordinates).

[Priyakumari C P @cppriyakumari]

Bond-alternated and bond-equalized hexazine derivatives - now published in Physical Chemistry Chemical Physics https://t.co/1OxnuKLBU2