Papers matching “large-scale quantum chemistry” 3
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The std2 package: A computationally efficient program to calculate molecular response properties and excited states using simplified quantum chemistry methods2026 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access
Pierre Beaujean, Axel Liger, Arya Satisha, Marilù G. Maraldi, Christoph Bannwarth, Marc de Wergifosse
1citations -
Shock-induced HCNH+ abundance enhancement in the heart of the starburst galaxy NGC 253 unveiled by ALCHEMI2025 Astronomy and Astrophysics article Physics and Astronomy Astrophysics and Star Formation Studies Open access
Yan Gong, Christian Henkel, Cheikh T Bop, Jeffrey G. Mangum, Erica A. Behrens, S. B. Zhang, +9 more
4citations
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