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Research within the Schaefer group involves the use of computational hardware and theoretical methods to solve problems in molecular quantum mechanics. His contributions to the field of quantum chemistry include a paper challenging, on theoretical grounds, the geometry of triplet methylene as assigned by Nobel Prize-winning experimentalist Gerhard Herzberg; the development of the Z-vector method simplifying certain calculations of correlated systems; and a wide body of work undertaken in his research group on the geometries, properties, and reactions of chemical systems using highly accurate ab initio quantum chemical techniques. Many of these papers have predicted, or forced a reinterpretation of, experimental results.
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论文共 2233 篇作者统计合作学者相似作者
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Shu-Hua Xia,Jihuan He, Zhuoqun Liu, Yunhan Liu,Yan Zhang,Yaoming Xie,Mitchell E Lahm, Gregory H Robinson,Henry F Schaefer
PHYSICAL CHEMISTRY CHEMICAL PHYSICSno. 11 (2024): 9073-9073
Physical chemistry chemical physics : PCCPno. 11 (2024): 9073-9073
The Journal of chemical physicsno. 12 (2024)
Journal of computational chemistry (2024)
Ethan J Poncelet,Henry F Mull, Yohannes Abate, Gregory H Robinson,Gary E Douberly, Justin M Turney,Henry F Schaefer
DALTON TRANSACTIONS (2024)
Israel Journal of Chemistryno. 7-8 (2023)
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