Data Set for Anisole-water and anisole-ammonia complexes in ground and excited (S1) states: a multiconfigurational SAPT study

Funding:

National Science Center of Poland, grants no. 2019/35/B/ST4/01310 and no. 2021/43/D/ST4/02762

European Centre of Excellence in Exascale Computing TREX - Targeting Real Chemical Accuracy at the Exascale. European Union’s Horizon 2020 - Research and Innovation program - grant agreement no. 952165.

COST Action CA21101 ‘Confined molecular systems: from a new generation of materials to the stars’ (COSY) supported by COST (European Cooperation in Science and Technology).

资助来源说明：
波兰国家科学中心（National Science Center of Poland）提供资助，资助编号分别为2019/35/B/ST4/01310与2021/43/D/ST4/02762；
欧洲百亿亿次计算卓越中心（European Centre of Excellence in Exascale Computing）TREX项目——"面向百亿亿次计算实现精准化学精度"（Targeting Real Chemical Accuracy at the Exascale），该项目隶属于欧盟"地平线2020（Horizon 2020）"研究与创新计划，资助协议编号为952165；
COST行动CA21101"受限分子系统：从新一代材料到天体领域"（Confined molecular systems: from a new generation of materials to the stars，简称COSY），由欧洲科学与技术合作组织（European Cooperation in Science and Technology，简称COST）资助。