Volume 141, Issue 12 | Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

Publishing model:: Hybrid

Submit your manuscript

Search all Theoretical Chemistry Accounts articles

Volume 141, Issue 12

December 2022

Filter by

Volume:

Sort by

Date published:

New to old Old to new

3 articles in this issue

Quest of new molecular frameworks for photoinduced carbon monoxide-releasing molecules: a computational prospective
Ritu Seth
D. Amilan Jose
Ajeet Singh
Research 19 November 2022 Article: 79
A theoretical study of dynamic processes observed in trimethylsilyl-1H-pyrazoles: prototropy and silylotropy
Rosa M. Claramunt
José Elguero
Ibon Alkorta
Research Open access 19 November 2022 Article: 78
Computational investigation on mechanisms and kinetics of gas-phase reactions of 4-hydroxy-2-pentanone (4H2P) with hydroxyl radicals and subsequent reactions of CH₃C(O)CH₂C^·(OH)CH₃ radical
Kanika Guleria
Ranga Subramanian
Research 17 November 2022 Article: 77
Part of 1 collection:

Special Issue: Festschrift in honor of Professor Pratim Kumar Chattaraj on his 65th Birthday