# Full-dimensional theory of pair-correlated HNCO photofragmentation

## TL;DR

This paper presents the first full-dimensional semiclassical calculations of HNCO photofragmentation in the S1 state, successfully reproducing experimental imaging results and elucidating the dissociation mechanism.

## Contribution

It introduces the first full-dimensional semiclassical dynamical model for HNCO photofragmentation, bridging experimental observations and theoretical understanding.

## Key findings

- Accurately reproduces high-resolution imaging measurements
- Provides detailed insight into the dissociation mechanism
- Demonstrates the effectiveness of full-dimensional semiclassical calculations

## Abstract

Full-dimensional semiclassical dynamical calculations are reported for the photofragmentation of isocyanic acid in the S1 state. These calculations, performed for the first time, allow to closely reproduce the key features of high-resolution imaging measurements at photolysis wavelengths of 201 and 210 nm while providing insight into the underlying dissociation mechanism.