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使用Multiwfn做自然跃迁轨道(NTO)分析- 思想家公社的门口：量子
unifying evolutionary framework for infrared-selected
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How can I visualise NTO output file?
Avogadro with Gaussian + NBO
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Election Vote Share Prediction using a Sentiment-based
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Election Vote Share Prediction using a Sentiment-based
impact of the dusty torus on obscured quasar halo mass
DFT/TD-DFT investigation on the UV–vis absorption and
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Pair Natural Orbital Restricted Open-Shell Configuration
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A novel cocrystal explosive NTO/TZTN with good comprehensive
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A network of topographic numerosity maps in human
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Promoting Singlet/triplet Exciton Transformation in Organic
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Observed Manipulation Enhances Left Fronto-Parietal
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High-frequency cavity optomechanics using bulk acoustic
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TDDFT Study of 3 different Dihydroxyanthraquinones
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Periodic DFT study of structural transformations of
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