Your search returned 38 results.

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	1.	Benchmark studies of variational, unitary and extended coupled cluster methods. [electronic resource] by Cooper, Bridgette Knowles, Peter J Producer: 20110406 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	A linked electron pair functional. [electronic resource] by Knowles, Peter J Cooper, Bridgette Producer: 20110408 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory. [electronic resource] by Robinson, James B Knowles, Peter J Producer: 20130826 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Approximate variational coupled cluster theory. [electronic resource] by Robinson, James B Knowles, Peter J Producer: 20111115 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)
	5.	Breaking multiple covalent bonds with Hartree-Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations. [electronic resource] by Robinson, James B Knowles, Peter J Producer: 20160530 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)
	6.	Quasi-variational coupled cluster theory. [electronic resource] by Robinson, James B Knowles, Peter J Producer: 20120529 In: The Journal of chemical physics vol. 136 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations. [electronic resource] by Black, Joshua A Knowles, Peter J Producer: 20181017 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Application of the quasi-variational coupled cluster method to the nonlinear optical properties of model hydrogen systems. [electronic resource] by Robinson, James B Knowles, Peter J Producer: 20121231 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)
	9.	Benchmark Quasi-Variational Coupled Cluster Calculations of Multiple Bond Breaking. [electronic resource] by Robinson, James B Knowles, Peter J Producer: 20151124 In: Journal of chemical theory and computation vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	High Accuracy ab Initio Calculations on Reactions of OH with 1-Alkenes. The Case of Propene. [electronic resource] by Izsák, Róbert Szőri, Milán Knowles, Peter J Viskolcz, Béla Producer: 20151201 In: Journal of chemical theory and computation vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. [electronic resource] by Kreplin, David A Knowles, Peter J Werner, Hans-Joachim Publication details: The Journal of chemical physics May 2019 In: The Journal of chemical physics vol. 150 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules. [electronic resource] by Kreplin, David A Knowles, Peter J Werner, Hans-Joachim Publication details: The Journal of chemical physics Feb 2020 In: The Journal of chemical physics vol. 152 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression. [electronic resource] by Polyak, Iakov Richings, Gareth W Habershon, Scott Knowles, Peter J Producer: 20190211 In: The Journal of chemical physics vol. 150 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	One-particle many-body Green's function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms. [electronic resource] by Hirata, So Doran, Alexander E Knowles, Peter J Ortiz, J V Producer: 20180607 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)
	15.	Dissecting the mechanism of oxygen trafficking in a metalloenzyme. [electronic resource] by Smith, Mark A Knowles, Peter F McPherson, Michael J Pearson, Arwen R Producer: 20110303 In: Faraday discussions vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping. [electronic resource] by Polyak, Iakov Hutton, Lewis Crespo-Otero, Rachel Barbatti, Mario Knowles, Peter J Publication details: Journal of chemical theory and computation Jul 2019 In: Journal of chemical theory and computation vol. 15 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton Calculations. [electronic resource] by Beyer, Adrian N Richardson, Jeremy O Knowles, Peter J Rommel, Judith Althorpe, Stuart C Producer: 20180129 In: The journal of physical chemistry letters vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	In Vitro Method to Quantify Dermal Absorption of Pesticide Residues. [electronic resource] by Clarke, James F Cordery, Sarah F Morgan, Neil A Knowles, Peter K Guy, Richard H Producer: 20160926 In: Chemical research in toxicology vol. 28 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Probing the molecular mechanisms in copper amine oxidases by generating heterodimers. [electronic resource] by Gaule, Thembaninkosi G Smith, Mark A Pearson, Arwen R Knowles, Peter F McPherson, Michael J Producer: 20151123 In: Chembiochem : a European journal of chemical biology vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo. [electronic resource] by Thomas, Robert E Opalka, Daniel Overy, Catherine Knowles, Peter J Alavi, Ali Booth, George H Producer: 20151203 In: The Journal of chemical physics vol. 143 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 38 results.