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	1.	Analytic evaluation of the nonadiabatic coupling vector between excited states using equation-of-motion coupled-cluster theory. [electronic resource] by Tajti, Attila Szalay, Péter G 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)
	2.	Details of the excited-state potential energy surfaces of adenine by coupled cluster techniques. [electronic resource] by Benda, Zsuzsanna Szalay, Péter G Producer: 20150515 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)
	3.	Benchmarking coupled cluster methods on singlet excited states of nucleobases. [electronic resource] by Kánnár, Dániel Szalay, Péter G Producer: 20151019 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Improving the Accuracy of the Charge Transfer Integrals Obtained by Coupled Cluster Theory, MBPT(2), and TDDFT. [electronic resource] by Pershin, Anton Szalay, Péter G Producer: 20160316 In: Journal of chemical theory and computation vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Quantum chemical MP2 results on some hydrates of cytosine: binding sites, energies and the first hydration shell. [electronic resource] by Fogarasi, Géza Szalay, Péter G Producer: 20160708 In: Physical chemistry chemical physics : PCCP vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Benchmarking Coupled Cluster Methods on Valence Singlet Excited States. [electronic resource] by Kánnár, Dániel Szalay, Péter G 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)
	7.	Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces. [electronic resource] by Tajti, Attila Szalay, Péter G Producer: 20191008 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)
	8.	Characterization of the excited states of DNA building blocks: a coupled cluster computational study. [electronic resource] by Benda, Zsuzsanna Szalay, Péter G Producer: 20180206 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	NMR and quantum chemical analysis of 3-(2-methly-2-phenylhydrazinyl)cyclohex-2-en-1-one. [electronic resource] by Dubrovay, Zsófia Szalay, Péter G Producer: 20151019 In: Journal of molecular modeling vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Development of highly accurate approximate scheme for computing the charge transfer integral. [electronic resource] by Pershin, Anton Szalay, Péter G Producer: 20151030 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)
	11.	Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States. [electronic resource] by Tajti, Attila Szalay, Péter G 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)
	12.	First-principles calculation of electron spin-rotation tensors. [electronic resource] by Tarczay, György Szalay, Péter G Gauss, Jürgen Producer: 20101213 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)
	13.	Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets. [electronic resource] by Kánnár, Dániel Tajti, Attila Szalay, Péter G Producer: 20170606 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Efficient Sparse Matrix Algorithm to Speed Up the Calculation of the Ladder Term in Coupled Cluster Programs. [electronic resource] by Pillió, Zoltán Tajti, Attila Szalay, Péter G Producer: 20151130 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)
	15.	Accuracy of Spin-Component Scaled ADC(2) Excitation Energies and Potential Energy Surfaces. [electronic resource] by Tajti, Attila Tulipán, Levente Szalay, Péter G Producer: 20200114 In: Journal of chemical theory and computation vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Reinterpretation of the UV spectrum of cytosine: only two electronic transitions? [electronic resource] by Tajti, Attila Fogarasi, Géza Szalay, Péter G Producer: 20091013 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Perturbative treatment of the electron-correlation contribution to the diagonal Born-Oppenheimer correction. [electronic resource] by Tajti, Attila Szalay, Péter G Gauss, Jürgen Producer: 20070927 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)
	18.	Dimol Emission of Oxygen Made Possible by Repulsive Interaction. [electronic resource] by Tajti, Attila Lendvay, György Szalay, Péter G Producer: 20180205 In: The journal of physical chemistry letters vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Analytical Energy Gradients in Range-Separated Hybrid Density Functional Theory with Random Phase Approximation. [electronic resource] by Mussard, Bastien Szalay, Péter G Ángyán, János G 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.	Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study. [electronic resource] by Bazsó, Gábor Tarczay, György Fogarasi, Géza Szalay, Péter G Producer: 20110713 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 43 results.