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yutian2398金蟲 (初入文壇)
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[求助]
物性數(shù)據(jù)的估算
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用Aspen模擬了一個(gè)物質(zhì),但是結(jié)果總是出現(xiàn)警告, WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED FOR COMPONENT IPN. THE FOLLOWING ATOMS WERE NOT MATCHED: C 11 N 12 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 1400 1 1015 3 1010 2 1000 2 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED FOR COMPONENT IPN. THE FOLLOWING ATOMS WERE NOT MATCHED: C 11 N 12 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 1400 1 1035 2 1025 2 1015 3 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE REICHENB METHOD CANNOT BE COMPLETED FOR COMPONENT IPN. THE FOLLOWING ATOMS WERE NOT MATCHED: O 7 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 126 1 100 3 109 3 111 2 113 1 請(qǐng)各位高手幫幫忙啊,物質(zhì)是異氟爾酮腈,化學(xué)名3-氰基-3,5,5-三甲基環(huán)己酮,先謝謝了 |
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