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. These CASSCFcalculations were per

. These CASSCF
calculations were performed using theMOLCAS7.2 package[22]. All
atoms were described using ANO RCC-type atomic functions

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. These CASSCFcalculations were performed using theMOLCAS7.2 package[22]. Allatoms were described using ANO RCC-type atomic functions

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Results (Thai) 2:[Copy]

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. CASSCF เหล่านี้
ได้ดำเนินการคำนวณโดยใช้แพคเกจ theMOLCAS7.2 [22] ทั้งหมด
อะตอมถูกอธิบายโดยใช้ ANO RCC ประเภทฟังก์ชั่นของอะตอม

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Results (Thai) 3:[Copy]

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. การคำนวณ casscf
เหล่านี้โดยใช้แพคเกจ themolcas7.2 [ 22 ] ทั้งหมดได้ถูกอธิบายไว้ใช้ใช่ RCC
อะตอมอะตอมฟังก์ชัน
ประเภท

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