open source ab initio electronic structure program (Janssen)
86
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Janssen
open source ab initio electronic structure program
Open Source Ab Initio Electronic Structure Program, supplied by Janssen, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/open-source+program/ab+electronic+initio+open+program+source+structure/pm42309004-529-68-42
Average 86 stars, based on 1 article reviews
Open Source Ab Initio Electronic Structure Program, supplied by Janssen, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/open-source+program/ab+electronic+initio+open+program+source+structure/pm42309004-529-68-42
Average 86 stars, based on 1 article reviews
open source ab initio electronic structure program - by Bioz Stars,
2026-10
86/100 stars
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In this study, we employed chirp-polarization Fourier-transform microwave spectroscopy to investigate the structures and noncovalent interactions in both homogeneous and heterogeneous dimers formed by thiophene and fluorobenzene molecules.. Our findings reveal that the thiophene dimer adopts a T-shaped structure, while the fluorobenzene dimer predominantly exhibits a parallel-displaced arrangement. Article Title: Competition between Hydrogen and Chalcogen Bonding in Homodimers of Chalcogen Hydrides (H 2 X) 2 , X = O, S, Se, Te. Article Snippet: The structural and chemical bonding motifs manifested by the competition between hydrogen and chalcogen bonding in the homodimers of chalcogen hydrides (H2X)2, where X = O, S, Se, Te have been characterized using high-level electronic structure calculations and analysis of the electron density based on Quasi-atomic orbital (QUAO) and the Symmetry-adapted perturbation theory (SAPT) methods.. 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