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	1.	Møller-Plesset perturbation energies and distances for HeC(20) extrapolated to the complete basis set limit. [electronic resource] by Varandas, A J C Producer: 20090223 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.	Accurate ab initio potentials at low cost via correlation scaling and extrapolation: application to CO(A 1Pi). [electronic resource] by Varandas, A J C Producer: 20071108 In: The Journal of chemical physics vol. 127 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Generalized uniform singlet- and triplet-pair extrapolation of the correlation energy to the one electron basis set limit. [electronic resource] by Varandas, A J C Producer: 20080520 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)
	4.	Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path. [electronic resource] by Varandas, A J C Producer: 20110826 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)
	5.	What are the implications of nonequilibrium in the O + OH and O + HO2 reactions? [electronic resource] by Varandas, A J C Producer: 20060608 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 6 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	On the stability of the elusive HO3 radical. [electronic resource] by Varandas, A J C Producer: 20111208 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)
	7.	Combined-hyperbolic-inverse-power-representation of potential energy surfaces: a preliminary assessment for H3 and HO2. [electronic resource] by Varandas, A J C Producer: 20130801 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)
	8.	Accurate combined-hyperbolic-inverse-power-representation of ab initio potential energy surface for the hydroperoxyl radical and dynamics study of O + OH reaction. [electronic resource] by Varandas, A J C Producer: 20130923 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)
	9.	Extrapolating to the one-electron basis-set limit in electronic structure calculations. [electronic resource] by Varandas, A J C 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)
	10.	Is HO3(-) multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion. [electronic resource] by Varandas, A J C Producer: 20150427 In: Physical chemistry chemical physics : PCCP vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Extrapolation to the complete-basis-set limit and the implications of avoided crossings: The X 1Sigma(g)+, B 1Delta(g), and B' 1Sigma(g)+ states of C2. [electronic resource] by Varandas, A J C Producer: 20090213 In: The Journal of chemical physics vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Spin-component-scaling second-order Møller-Plesset theory and its variants for economical correlation energies: unified theoretical interpretation and use for quartet N3. [electronic resource] by Varandas, A J C Producer: 20101227 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)
	13.	Ab Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization. [electronic resource] by Varandas, A J C Producer: 20151125 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)
	14.	Accurate ab initio potential energy curves for the classic Li-F ionic-covalent interaction by extrapolation to the complete basis set limit and modeling of the radial nonadiabatic coupling. [electronic resource] by Varandas, A J C Producer: 20091209 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)
	15.	Extrapolation to the complete basis set limit without counterpoise. The pair potential of helium revisited. [electronic resource] by Varandas, A J C Producer: 20101202 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)
	16.	Accurate determination of the reaction course in HY2 <−> Y + YH (Y = O, S): detailed analysis of the covalent- to hydrogen-bonding transition. [electronic resource] by Varandas, A J C Producer: 20140227 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)
	17.	CBS extrapolation in electronic structure pushed to the end: a revival of minimal and sub-minimal basis sets. [electronic resource] by Varandas, A J C Producer: 20180910 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	CBS extrapolation of Hartree-Fock energy: Pople and Dunning basis sets hand-to-hand on the endeavour. [electronic resource] by Varandas, A J C Producer: 20190410 In: Physical chemistry chemical physics : PCCP vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	On Extracting Subfemtosecond Data from Femtosecond Quantum Dynamics Calculations: The Methane Cation. [electronic resource] by Mondal, T Varandas, A J C 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)
	20.	Ab initio based DMBE potential energy surface for the ground electronic state of the C(2)H molecule. [electronic resource] by Joseph, S Varandas, A J C Producer: 20100528 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)

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Your search returned 77 results.