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Theoretical and Computational Chemistry

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Multireference CASSCF/NEVPT2 methods

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2 results in Keywords: Multireference CASSCF/NEVPT2 methods

Theoretical and Computational Chemistry

Auxiliary Atomic Relay Center Facilitates Enhanced Magnetic Couplings in Blatter’s Radical

Ashima Bajaj, Rishu Khurana, Md. Ehesan Ali

Version 1 posted 04 January 2021

304

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Theoretical and Computational Chemistry

Tuning the Magnetic Properties of Diamagnetic Di-Blatter’s Zwitterion to Antiferro- and Ferromagnetic Diradical

Rishu Khurana, Ashima Bajaj, Md. Ehesan Ali

Version 1 posted 16 April 2021

517

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