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	1.	A theoretical study of the intramolecular charge transfer in 4-(dimethylamino)benzethyne. [electronic resource] by Segarra-Martí, Javier Coto, Pedro B Producer: 20150511 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)
	2.	Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems. [electronic resource] by Segarra-Martí, Javier Garavelli, Marco Aquilante, Francesco Producer: 20160314 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)
	3.	Ab initio determination of the ionization potentials of water clusters (H2O)n (n = 2-6). [electronic resource] by Segarra-Martí, Javier Merchán, Manuela Roca-Sanjuán, Daniel Producer: 20121001 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)
	4.	Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation. [electronic resource] by Segarra-Martí, Javier Tran, Thierry Bearpark, Michael J Publication details: Physical chemistry chemical physics : PCCP Jul 2019 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)
	5.	Highlights from the Faraday discussion on photoinduced processes in nucleic acids and proteins. [electronic resource] by Segarra-Martí, Javier Ramakrishnan, Remya Vinals, Javier Hughes, Ashley J Publication details: Chemical communications (Cambridge, England) Apr 2018 In: Chemical communications (Cambridge, England) vol. 54 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	On the photophysics and photochemistry of the water dimer. [electronic resource] by Segarra-Martí, Javier Roca-Sanjuán, Daniel Merchán, Manuela Lindh, Roland Producer: 20130530 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)
	7.	Excitation of nucleobases from a computational perspective I: reaction paths. [electronic resource] by Giussani, Angelo Segarra-Martí, Javier Roca-Sanjuán, Daniel Merchán, Manuela Producer: 20150414 In: Topics in current chemistry vol. 355 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2. [electronic resource] by Segarra-Martí, Javier Francés-Monerris, Antonio Roca-Sanjuán, Daniel Merchán, Manuela Producer: 20170515 In: Molecules (Basel, Switzerland) vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States. [electronic resource] by Tran, Thierry Segarra-Martí, Javier Bearpark, Michael J Robb, Michael A Publication details: The journal of physical chemistry. A Jun 2019 In: The journal of physical chemistry. A vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy electrons (0-3 eV). [electronic resource] by Francés-Monerris, Antonio Segarra-Martí, Javier Merchán, Manuela Roca-Sanjuán, Daniel Producer: 20161005 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.	Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy. [electronic resource] by Segarra-Martí, Javier Mukamel, Shaul Garavelli, Marco Nenov, Artur Rivalta, Ivan Publication details: Topics in current chemistry (Cham) Jun 2018 In: Topics in current chemistry (Cham) vol. 376 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides. [electronic resource] by Pepino, Ana Julieta Segarra-Martí, Javier Nenov, Artur Improta, Roberto Garavelli, Marco 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)
	13.	UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level. [electronic resource] by Pepino, Ana Julieta Segarra-Martí, Javier Nenov, Artur Rivalta, Ivan Improta, Roberto Garavelli, Marco Producer: 20181218 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)
	14.	Deciphering the photochemical mechanisms describing the UV-induced processes occurring in solvated guanine monophosphate. [electronic resource] by Altavilla, Salvatore F Segarra-Martí, Javier Nenov, Artur Conti, Irene Rivalta, Ivan Garavelli, Marco Producer: 20150505 In: Frontiers in chemistry vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	COBRAMM 2.0 - A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations. [electronic resource] by Weingart, Oliver Nenov, Artur Altoè, Piero Rivalta, Ivan Segarra-Martí, Javier Dokukina, Irina Garavelli, Marco Producer: 20180904 In: Journal of molecular modeling vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	On the N1-H and N3-H Bond Dissociation in Uracil by Low Energy Electrons: A CASSCF/CASPT2 Study. [electronic resource] by González-Ramírez, Israel Segarra-Martí, Javier Serrano-Andrés, Luis Merchán, Manuela Rubio, Mercedes Roca-Sanjuán, Daniel 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)
	17.	Modeling multidimensional spectral lineshapes from first principles: application to water-solvated adenine. [electronic resource] by Segarra-Martí, Javier Segatta, Francesco Mackenzie, Tristan A Nenov, Artur Rivalta, Ivan Bearpark, Michael J Garavelli, Marco Producer: 20200310 In: Faraday discussions vol. 221 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy. [electronic resource] by Nenov, Artur Giussani, Angelo Segarra-Martí, Javier Jaiswal, Vishal K Rivalta, Ivan Cerullo, Giulio Mukamel, Shaul Garavelli, Marco Producer: 20150824 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates. [electronic resource] by Segarra-Martí, Javier Jaiswal, Vishal K Pepino, Ana Julieta Giussani, Angelo Nenov, Artur Mukamel, Shaul Garavelli, Marco Rivalta, Ivan Producer: 20190613 In: Faraday discussions vol. 207 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Excited-State Dynamics of Thienoguanosine, an Isomorphic Highly Fluorescent Analogue of Guanosine. [electronic resource] by Martinez-Fernandez, Lara Gavvala, Krishna Sharma, Rajhans Didier, Pascal Richert, Ludovic Segarra Martì, Javier Mori, Mattia Mely, Yves Improta, Roberto Publication details: Chemistry (Weinheim an der Bergstrasse, Germany) 05 2019 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 25 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.