Your search returned 31 results.

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	1.	Kick: constraining a stochastic search procedure with molecular fragments. [electronic resource] by Addicoat, Matthew A Metha, Gregory F Producer: 20081219 In: Journal of computational chemistry vol. 30 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Excited states of Nb3N2 and Nb3C2: density functional theory, CASSCF, and MRCI studies. [electronic resource] by Addicoat, Matthew A Metha, Gregory F Producer: 20090706 In: The Journal of chemical physics vol. 130 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Optimization of a genetic algorithm for searching molecular conformer space. [electronic resource] by Brain, Zoe E Addicoat, Matthew A Producer: 20120227 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Explicit treatment of hydrogen bonds in the universal force field: Validation and application for metal-organic frameworks, hydrates, and host-guest complexes. [electronic resource] by Coupry, Damien E Addicoat, Matthew A Heine, Thomas Producer: 20180611 In: The Journal of chemical physics vol. 147 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	AuToGraFS: automatic topological generator for framework structures. [electronic resource] by Addicoat, Matthew A Coupry, Damien E Heine, Thomas Producer: 20150521 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)
	6.	Extension of the Universal Force Field for Metal-Organic Frameworks. [electronic resource] by Coupry, Damien E Addicoat, Matthew A Heine, Thomas Producer: 20180130 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Highlights from the Faraday Discussion on New Directions in Porous Crystalline Materials, Edinburgh, UK, June 2017. [electronic resource] by Addicoat, Matthew A Bennett, Thomas D Stassen, Ivo Producer: 20180305 In: Chemical communications (Cambridge, England) vol. 53 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexes. [electronic resource] by Addicoat, Matthew A Metha, Gregory F Kee, Tak W Producer: 20110405 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Reactions of Nb2 and Nb3 with CO, D2, N2, and O2: reconciling experimental kinetics with density functional theory-calculated reaction profiles. [electronic resource] by Addicoat, Matthew A Lim, Kieran F Metha, Gregory F Producer: 20121127 In: The Journal of chemical physics vol. 137 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Extension of the Universal Force Field to Metal-Organic Frameworks. [electronic resource] by Addicoat, Matthew A Vankova, Nina Akter, Ismot Farjana Heine, Thomas Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Stochastic structure determination for conformationally flexible heterogenous molecular clusters: application to ionic liquids. [electronic resource] by Addicoat, Matthew A Fukuoka, Syou Page, Alister J Irle, Stephan Producer: 20140612 In: Journal of computational chemistry vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study. [electronic resource] by Addicoat, Matthew A Buntine, Mark A Yates, Brian Metha, Gregory F Producer: 20080715 In: Journal of computational chemistry vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Stochastic Search of Molecular Cluster Interaction Energy Surfaces with Coupled Cluster Quality Prediction. The Phenylacetylene Dimer. [electronic resource] by Addicoat, Matthew A Nishimura, Yoshifumi Sato, Takeshi Tsuneda, Takao Irle, Stephan Producer: 20151124 In: Journal of chemical theory and computation vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Ionic Covalent Organic Frameworks: Design of a Charged Interface Aligned on 1D Channel Walls and Its Unusual Electrostatic Functions. [electronic resource] by Huang, Ning Wang, Ping Addicoat, Matthew A Heine, Thomas Jiang, Donglin Producer: 20190110 In: Angewandte Chemie (International ed. in English) vol. 56 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Catalytic Activity Towards Hydrogen Evolution Dependent of the Degree of Conjugation and Absorption of Six Organic Chromophores. [electronic resource] by Aleksovska, Angela Lönnecke, Peter Addicoat, Matthew A Gläser, Roger Hey-Hawkins, Evamarie Producer: 20210203 In: ChemistryOpen vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	The fragment molecular orbital and systematic molecular fragmentation methods applied to water clusters. [electronic resource] by Pruitt, Spencer R Addicoat, Matthew A Collins, Michael A Gordon, Mark S Producer: 20120829 In: Physical chemistry chemical physics : PCCP vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Assessment of the Density Functional Tight Binding Method for Protic Ionic Liquids. [electronic resource] by Addicoat, Matthew A Stefanovic, Ryan Webber, Grant B Atkin, Rob Page, Alister J Publication details: Journal of chemical theory and computation Oct 2014 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Solid state organic amine detection in a photochromic porous metal organic framework. [electronic resource] by Mallick, Arijit Garai, Bikash Addicoat, Matthew A Petkov, Petko St Heine, Thomas Banerjee, Rahul Publication details: Chemical science Feb 2015 In: Chemical science vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Ionization potentials of tantalum-carbide clusters: an experimental and density functional theory study. [electronic resource] by Dryza, Viktoras Addicoat, Matthew A Gascooke, Jason R Buntine, Mark A Metha, Gregory F Producer: 20060208 In: The journal of physical chemistry. A vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Threshold photoionization and density functional theory studies of the niobium carbide clusters Nb3C(n) (n = 1-4) and Nb4C(n) (n = 1-6). [electronic resource] by Dryza, Viktoras Addicoat, Matthew A Gascooke, Jason R Buntine, Mark A Metha, Gregory F Producer: 20080805 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)

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Your search returned 31 results.