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	13101.	4-(3-Nitrophenyl)thiazol-2-ylhydrazone derivatives as antioxidants and selective hMAO-B inhibitors: synthesis, biological activity and computational analysis. [electronic resource] by Secci, Daniela Carradori, Simone Petzer, Anél Guglielmi, Paolo D'Ascenzio, Melissa Chimenti, Paola Bagetta, Donatella Alcaro, Stefano Zengin, Gokhan Petzer, Jacobus P Ortuso, Francesco Producer: 20190222 In: Journal of enzyme inhibition and medicinal chemistry vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13102.	A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates. [electronic resource] by Liu, Wenlan Canola, Sofia Köhn, Andreas Engels, Bernd Negri, Fabrizia Fink, Reinhold F Publication details: Journal of computational chemistry Sep 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13103.	Molecular understanding of the adhesive interactions between silica surface and epoxy resin: Effects of interfacial water. [electronic resource] by Higuchi, Chisa Tanaka, Hiromasa Yoshizawa, Kazunari Publication details: Journal of computational chemistry Jan 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13104.	Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean. [electronic resource] by Shimamura, Kohei Shimojo, Fuyuki Nakano, Aiichiro Tanaka, Shigenori Producer: 20200306 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13105.	Mechanism of the O [electronic resource] by Wang, Ya-Ting Liu, Xiang-Yang Fang, Wei-Hai Publication details: Journal of computational chemistry Jan 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13106.	Accurate heats of formation of polycyclic saturated hydrocarbons predicted by using the XYG3 type of doubly hybrid functionals. [electronic resource] by Zhang, Igor Ying Wu, Jianming Xu, Xin Publication details: Journal of computational chemistry Apr 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13107.	Enhanced sampling method in molecular simulations using genetic algorithm for biomolecular systems. [electronic resource] by Sakae, Yoshitake Straub, John E Okamoto, Yuko Producer: 20200601 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13108.	Computational Study of Enantioselectivity in the Asymmetric Allylation of Aldehydes with Chiral Pt(II) Phosphinite Complexes. [electronic resource] by Dinda, Shrabani Producer: 20190930 In: The Journal of organic chemistry vol. 83 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13109.	Can large active-space CASSCF calculation make sense to the reaction analysis of iron complex? A benchmark study of methane oxidation reaction by FeO [electronic resource] by Nakatani, Naoki Hada, Masahiko Publication details: Journal of computational chemistry Jan 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13110.	Fluxional Bonds in Planar B [electronic resource] by Yan, Miao Li, Hai-Ru Zhao, Xiao-Yun Lu, Xiao-Qin Mu, Yue-Wen Lu, Hai-Gang Li, Si-Dian Publication details: Journal of computational chemistry Apr 2019 In: Journal of computational chemistry vol. 40 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13111.	Probing vibrational coupling via a grid-based quantum approach-an efficient strategy for accurate calculations of localized normal modes in solid-state systems. [electronic resource] by Kuenzer, Ulrich Klotz, Martin Hofer, Thomas S Publication details: Journal of computational chemistry Oct 2018 In: Journal of computational chemistry vol. 39 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13112.	Deprotonative Metalation of Methoxy-Substituted Arenes Using Lithium 2,2,6,6-Tetramethylpiperidide: Experimental and Computational Study. [electronic resource] by Akimoto, Gaku Otsuka, Mai Takita, Ryo Uchiyama, Masanobu Hedidi, Madani Bentabed-Ababsa, Ghenia Lassagne, Frédéric Erb, William Mongin, Florence Producer: 20190930 In: The Journal of organic chemistry vol. 83 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13113.	Synthetic Control of Tertiary Helical Structures in Short Peptides. [electronic resource] by Wuo, Michael G Hong, Seong Ho Singh, Arunima Arora, Paramjit S Producer: 20190909 In: Journal of the American Chemical Society vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13114.	Computational screening of chalcones acting against topoisomerase IIα and their cytotoxicity towards cancer cell lines. [electronic resource] by Sangpheak, Kanyani Mueller, Monika Darai, Nitchakan Wolschann, Peter Suwattanasophon, Chonticha Ruga, Ritbey Chavasiri, Warinthon Seetaha, Supaporn Choowongkomon, Kiattawee Kungwan, Nawee Rungnim, Chompoonut Rungrotmongkol, Thanyada Producer: 20181108 In: Journal of enzyme inhibition and medicinal chemistry vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13115.	Charting an Unexplored Streptococcal Biosynthetic Landscape Reveals a Unique Peptide Cyclization Motif. [electronic resource] by Bushin, Leah B Clark, Kenzie A Pelczer, István Seyedsayamdost, Mohammad R Producer: 20191015 In: Journal of the American Chemical Society vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13116.	Computational Exploration of a Pd(II)-Catalyzed γ-C-H Arylation Where Stereoselectivity Arises from Attractive Aryl-Aryl Interactions. [electronic resource] by Bay, Katherine L Yang, Yun-Fang Houk, K N Producer: 20190930 In: The Journal of organic chemistry vol. 83 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13117.	MELD × MD Folds Nonthreadables, Giving Native Structures and Populations. [electronic resource] by Robertson, James C Perez, Alberto Dill, Ken A Producer: 20190401 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13118.	Protein function prediction from protein-protein interaction network using gene ontology based neighborhood analysis and physico-chemical features. [electronic resource] by Saha, Sovan Prasad, Abhimanyu Chatterjee, Piyali Basu, Subhadip Nasipuri, Mita Producer: 20190920 In: Journal of bioinformatics and computational biology vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13119.	Multispectroscopic and Computational Investigation of ct-DNA Binding Properties with Hydroxybenzylidene Containing Tetrahydrocarbazole Derivative. [electronic resource] by Ozkan, Sule Taskin-Tok, Tugba Uzgoren-Baran, Ayse Akbay, Nuriye Producer: 20190715 In: Journal of fluorescence vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13120.	Determining Maximum Sublimation Rate for a Production Lyophilizer: Computational Modeling and Comparison With Ice Slab Tests. [electronic resource] by Kshirsagar, Vaibhav Tchessalov, Serguei Kanka, Frank Hiebert, David Alexeenko, Alina Producer: 20200217 In: Journal of pharmaceutical sciences vol. 108 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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