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	1.	Quantifying reactivity for electrophilic aromatic substitution reactions with Hirshfeld charge. [electronic resource] by Liu, Shubin Producer: 20150515 In: The journal of physical chemistry. A vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Identity for Kullback-Leibler divergence in density functional reactivity theory. [electronic resource] by Liu, Shubin Producer: 20191016 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules. [electronic resource] by Liu, Shubin Producer: 20070726 In: The Journal of chemical physics vol. 126 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Steric effect: a quantitative description from density functional theory. [electronic resource] by Liu, Shubin Producer: 20070830 In: The Journal of chemical physics vol. 126 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Where does the electron go? The nature of ortho/para and meta group directing in electrophilic aromatic substitution. [electronic resource] by Liu, Shubin Producer: 20150618 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Origin and nature of bond rotation barriers: a unified view. [electronic resource] by Liu, Shubin Producer: 20130729 In: The journal of physical chemistry. A vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Toward understanding the nature of internal rotation barriers with a new energy partition scheme: ethane and n-butane. [electronic resource] by Liu, Shubin Govind, Niranjan Producer: 20080919 In: The journal of physical chemistry. A vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Atomic correlation energy from the electron density at the nucleus. [electronic resource] by Liu, Shubin Parr, Robert G Producer: 20071120 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Origin of molecular conformational stability: perspectives from molecular orbital interactions and density functional reactivity theory. [electronic resource] by Liu, Shubin Schauer, Cynthia K Producer: 20150803 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Estimation of molecular acidity via electrostatic potential at the nucleus and valence natural atomic orbitals. [electronic resource] by Liu, Shubin Pedersen, Lee G Producer: 20090714 In: The journal of physical chemistry. A vol. 113 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Core decompression and implantation of bone marrow mononuclear cells with porous hydroxylapatite composite filler for the treatment of osteonecrosis of the femoral head. [electronic resource] by Liu, Yaosheng Liu, Shubin Su, Xiuyun Producer: 20130507 In: Archives of orthopaedic and trauma surgery vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Information conservation principle determines electrophilicity, nucleophilicity, and regioselectivity. [electronic resource] by Liu, Shubin Rong, Chuying Lu, Tian Producer: 20141107 In: The journal of physical chemistry. A vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Structural and dynamic properties of (SiO2)6 silica nanostructures: a quantum molecular dynamics study. [electronic resource] by Zhong, Aiguo Rong, Chunying Liu, Shubin Producer: 20070601 In: The journal of physical chemistry. A vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Dissecting molecular descriptors into atomic contributions in density functional reactivity theory. [electronic resource] by Rong, Chunying Lu, Tian Liu, Shubin Producer: 20140915 In: The Journal of chemical physics vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Electronic forces as descriptors of nucleophilic and electrophilic regioselectivity and stereoselectivity. [electronic resource] by Liu, Shubin Rong, Chunying Lu, Tian Producer: 20180131 In: Physical chemistry chemical physics : PCCP vol. 19 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Steric, quantum, and electrostatic effects on S(N)2 reaction barriers in gas phase. [electronic resource] by Liu, Shubin Hu, Hao Pedersen, Lee G Producer: 20100810 In: The journal of physical chemistry. A vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Charge Separation Propensity of the Coenzyme B12-Tyrosine Complex in Adenosylcobalamin-Dependent Methylmalonyl-CoA Mutase Enzyme. [electronic resource] by Kumar, Neeraj Liu, Shubin Kozlowski, Pawel M Producer: 20150922 In: The journal of physical chemistry letters vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Potentialphilicity and potentialphobicity: Reactivity indicators for external potential changes from density functional reactivity theory. [electronic resource] by Liu, Shubin Li, Tonglei Ayers, Paul W Producer: 20100115 In: The Journal of chemical physics vol. 131 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Tuning amidoximate to enhance uranyl binding: a density functional theory study. [electronic resource] by Abney, Carter W Liu, Shubin Lin, Wenbin Producer: 20140611 In: The journal of physical chemistry. A vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Stability conditions for density functional reactivity theory: an interpretation of the total local hardness. [electronic resource] by Ayers, Paul W Liu, Shubin Li, Tonglei Producer: 20110607 In: Physical chemistry chemical physics : PCCP vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 116 results.