research/borazine-inverted-gap/README.md
research/borazine-inverted-gap/PREREGISTRATION.md
research/borazine-inverted-gap/prompts/README.md
research/borazine-inverted-gap/prompts/01-setup-and-launch-tier1.codex.md
research/borazine-inverted-gap/prompts/02-writeup-draft.codex.md
research/borazine-inverted-gap/results/10_adc2_def2-tzvp.json
research/borazine-inverted-gap/results/10_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/11_adc2_def2-tzvp.json
research/borazine-inverted-gap/results/11_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/12_adc2_def2-tzvp.json
research/borazine-inverted-gap/results/12_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/1_adc2_def2-tzvp.json
research/borazine-inverted-gap/results/1_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/2a_adc2_def2-tzvp.json
research/borazine-inverted-gap/results/2a_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/9_adc2_def2-tzvp.json
research/borazine-inverted-gap/results/9_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/JOURNAL.md
research/borazine-inverted-gap/environment.md
research/borazine-inverted-gap/sources.json
research/borazine-inverted-gap/expected/published_SI_tables_1-3.csv
research/borazine-inverted-gap/tier1/run_adc2_pyscf.py
research/borazine-inverted-gap/tier1/run_eomccsd_pyscf.py
research/borazine-inverted-gap/xyz/1.xyz
research/borazine-inverted-gap/xyz/11.xyz
research/borazine-inverted-gap/xyz/9.xyz
research/borazine-inverted-gap/xyz/10.xyz
research/borazine-inverted-gap/xyz/12.xyz
research/borazine-inverted-gap/xyz/2a.xyz
research/borazine-inverted-gap/xyz/2b.xyz
research/borazine-inverted-gap/2b-handoff.md
research/borazine-inverted-gap/adc2-results.schema.json
research/borazine-inverted-gap/generate-metrics.mjs
research/borazine-inverted-gap/metrics.json
research/borazine-inverted-gap/results/JOURNAL-2026-09-30.md
research/borazine-inverted-gap/results/status-2026-09-30.json
research/borazine-inverted-gap/results/2b-adc2-stopped.pyscf.txt
research/borazine-inverted-gap/results/2b-adc2-stopped.time.txt
research/borazine-inverted-gap/prompts/03-followup-2b-compute-and-amendment1.md
research/borazine-inverted-gap/results/2b_eomccsd_def2-svp.json
research/borazine-inverted-gap/results/2b-eomccsd-completed.pyscf.txt
research/borazine-inverted-gap/results/1_eomccsd_def2-tzvp.json
research/borazine-inverted-gap/results/1-eomccsd-def2-tzvp-completed.pyscf.txt
research/borazine-inverted-gap/results/1-eomccsd-def2-tzvp-completed.time.txt
research/borazine-inverted-gap/results/1-eomccsd-def2-tzvp-completed.stdout.txt
research/borazine-inverted-gap/results/11_eomccsd_def2-tzvp.json
research/borazine-inverted-gap/results/11-eomccsd-def2-tzvp-completed.pyscf.txt
research/borazine-inverted-gap/results/11-eomccsd-def2-tzvp-completed.time.txt
research/borazine-inverted-gap/results/11-eomccsd-def2-tzvp-completed.stdout.txt
research/borazine-inverted-gap/results/2b-eomccsd-completed.time.txt
research/borazine-inverted-gap/results/2b-eomccsd-completed.stdout.txt
research/borazine-inverted-gap/prompts/04-amendment1-results-fill.md
research/borazine-inverted-gap/prompts/05-followup-title-and-polish.md