Pure and Applied Chemistry

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• Saltiel Jack, Kumar V. K. Ratheesh, Redwood Christopher E., Mallory Frank B., Mallory Clelia W.: Competing adiabatic and nonadiabatic pathways in the cis–trans photoisomerization of cis-1,2-di(1-methyl-2-naphthyl)ethene. A zwitterionic twisted intermediate. Photochem. Photobiol. Sci. 2014, 13, 172. <http://dx.doi.org/10.1039/c3pp50173f>
• Angeli Celestino, Cimiraglia Renzo, Malrieu Jean-Paul: Non-orthogonal and orthogonal valence bond wavefunctions in the hydrogen molecule: the diabatic view. Molecular Physics 2013, 111, 1069. <http://dx.doi.org/10.1080/00268976.2013.771803>
• König Carolin, Neugebauer Johannes: Quantum Chemical Description of Absorption Properties and Excited-State Processes in Photosynthetic Systems. chem phys chem 2012, 13, 386. <http://dx.doi.org/10.1002/cphc.201100408>
• Angeli Celestino, Pastore Mariachiara: The lowest singlet states of octatetraene revisited. J Chem Phys 2011, 134, 184302. <http://dx.doi.org/10.1063/1.3585607>
• Palmer Michael H., Walker Isobel C.: The electronic states of buta-1,3-diene studied by ab initio configuration interaction and DFT methods, and electron energy loss spectroscopy. Chemical Phys 2010, 373, 159. <http://dx.doi.org/10.1016/j.chemphys.2010.04.016>
• Masunov Artem E., Mikhailov Ivan A.: Theory and computations of two-photon absorbing photochromic chromophores. Eur J Chem 2010, 1. <http://dx.doi.org/10.5155/eurjchem.1.2.142-161.119>
• Tafur Sergio, Masunov Artëm, Mikhailov Ivan: Double excitations and state-to-state transition dipoles in π-π^{∗} excited singlet states of linear polyenes: Time-dependent density-functional theory versus multiconfigurational methods. Phys Rev A 2008, 77, 012510. <http://dx.doi.org/10.1103/PhysRevA.77.012510>
• Al Hajj Mohamad, Malrieu Jean-Paul: On the spin gaps of conjugated hydrocarbon polymers. J Chem Phys 2007, 127, 144902. <http://dx.doi.org/10.1063/1.2764028>
• Bearpark Michael J., Boggio-Pasqua Martial, Robb Michael A., Ogliaro François: Excited States of Conjugated Hydrocarbons Using the Molecular Mechanics - Valence Bond (MMVB) Method: Conical Intersections and Dynamics. Theor Chem Acc 2006, 116, 670. <http://dx.doi.org/10.1007/s00214-006-0113-5>
• Han Wen-Ge, Lovell Timothy, Liu Tiqing, Noodleman Louis: Density Functional Studies of the Ground- and Excited-State Potential-Energy Curves of Stilbenecis-trans Isomerization. Chem Eur J of Chem Phys 2002, 3, 167. <http://dx.doi.org/10.1002/1439-7641(20020215)3:2<167::AID-CPHC167>3.0.CO;2-G>
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• Serrano-Andrés Luis, Merchán Manuela, Nebot-Gil Ignacio, Lindh Roland, Roos Björn O.: Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene. J Chem Phys 1993, 98, 3151. <http://dx.doi.org/10.1063/1.465071>
• Serrano-Andrés Luis, Sánchez-Marín José, Nebot-Gil Ignacio: Theoretical study of the low-lying states of trans-1,3-butadiene. J Chem Phys 1992, 97, 7499. <http://dx.doi.org/10.1063/1.463521>
• Sanchez-Marin J., Malrieu J. P., Maynau D.: Approximate solutions of Heisenberg Hamiltonians. Int J Quantum Chem 1987, 31, 903. <http://dx.doi.org/10.1002/qua.560310606>
• Dormans Guido J. M., Groenenboom Gerrit C., Buck Henk M.: Dynamical calculations on the photoisomerization of small polyenes in a nonadiabatic formalism. J Chem Phys 1987, 86, 4895. <http://dx.doi.org/10.1063/1.452776>
• Pajot-Augy E., Bokobza L., Laupretre F., Monnerie L., de Schryver F.C., Kanda K., Imamura A., Dormans Guido J.M., Buck Hendrik M.: Conformational analysis of intramolecular excimer formation in meso and racemic 1,1���-di (2-naphthyl) diethylether. Journal of Molecular Structure: THEOCHEM 1986, 136, 1. <http://dx.doi.org/10.1016/0166-1280(86)87067-1>