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Probing Stereoelectronic Interactions in an O―N―O Unit by the Atomic Energies: Experimental and Theoretical Electron Density StudyNELYUBINA, Yulia V; LYSSENKO, Konstantin A.The journal of physical chemistry. A. 2013, Vol 117, Num 14, pp 3084-3092, issn 1089-5639, 9 p.Article

Quantum dynamics and electronic spectroscopy within the framework of waveletsTOUTOUNJI, Mohamad.Journal of physics. B. Atomic, molecular and optical physics (Print). 2013, Vol 46, Num 6, issn 0953-4075, 065101.1-065101.7Article

Role of dG/dw and dV/dw in AIM Analysis: An Approach to the Nature of Weak to Strong InteractionsNAKANISHI, Waro; HAYASHI, Satoko.The journal of physical chemistry. A. 2013, Vol 117, Num 8, pp 1795-1803, issn 1089-5639, 9 p.Article

Adiabatic Eigenfunction Based Approach to Coherent Transfer: Application to the Fenna―Matthews―Olson (FMO) Complex and the Role of Correlations in the Efficiency of Energy Transfer : STRUCTURE AND DYNAMICS: BORN-OPPENHEIMER THEORIES AND APPLICATIONS, REACTION DYNAMICS, AND MOLECULE SURFACE SCATTERINGBHATTACHARYYA, Pallavi; SEBASTIAN, K. L.The journal of physical chemistry. A. 2013, Vol 117, Num 36, pp 8806-8813, issn 1089-5639, 8 p.Article

Analytical Study of Superaromaticity in Cycloarenes and Related Coronoid HydrocarbonsAIHARA, Jun-Ichi; MAKINO, Masakazu; ISHIDA, Toshimasa et al.The journal of physical chemistry. A. 2013, Vol 117, Num 22, pp 4688-4697, issn 1089-5639, 10 p.Article

Diffusion Monte Carlo in Internal CoordinatesPETIT, Andrew S; MCCOY, Anne B.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 7009-7018, issn 1089-5639, 10 p.Article

Electron-pair radial densities from shell densities of atomsKOGA, Toshikatsu.Journal of physics. B. Atomic, molecular and optical physics (Print). 2013, Vol 46, Num 19, issn 0953-4075, 195002.1-195002.5Article

Moderately Strong Phenols Dissociate by Forming an Ion-Pair Kinetic IntermediateIFTIMIE, Radu; TREMBLAY, Marie-Hélène; THOMAS, Vibin et al.The journal of physical chemistry. A. 2013, Vol 117, Num 51, pp 13976-13987, issn 1089-5639, 12 p.Article

Tensor Hypercontraction Equation-of-Motion Second-Order Approximate Coupled Cluster: Electronic Excitation Energies in O(N⁴) TimeHOHENSTEIN, Edward G; KOKKILA, Sara I. L; PARRISH, Robert M et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 42, pp 12972-12978, issn 1520-6106, 7 p.Article

Extended Hückel Method Calculation of Polarization Energies: The Case of a Benzene DimerTROMER, Raphael M; FREIRE, José A.The journal of physical chemistry. A. 2013, Vol 117, Num 51, pp 14276-14281, issn 1089-5639, 6 p.Article

The 4¹Σ⁺ electronic state of LiCs moleculeSZCZEPKOWSKI, Jacek; JASIK, Patryk; GROCHOLA, Anna et al.The European physical journal. Special topics. 2013, Vol 222, Num 9, pp 2329-2333, issn 1951-6355, 5 p.Conference Paper

Hydride Dissociation Energies of Six-Membered Heterocyclic Organic Hydrides Predicted by ONIOM-G4MethodJING SHI; XIONG-YI HUANG; HUA-JING WANG et al.Journal of chemical information and modeling. 2012, Vol 52, Num 1, pp 63-75, issn 1549-9596, 13 p.Article

A test of the circular Unruh effect using atomic electronsRAD, N; SINGLETON, D.The European physical journal. D, Atomic, molecular and optical physics (Print). 2012, Vol 66, Num 10, issn 1434-6060, 66258.1-66258.7Article

Explicit spheroidal wave functions of the hydrogen atomKERESELIDZE, T; MACHAVARIANI, Z. S; CHKADUA, G et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2011, Vol 63, Num 1, pp 81-87, issn 1434-6060, 7 p.Article

The Interplay between ππ^*/nπ^* Excited States in GasPhase Thymine: A Quantum Dynamical StudyPICCONI, David; BARONE, Vincenzo; LAMI, Alessandro et al.ChemPhysChem (Print). 2011, Vol 12, Num 10, pp 1957-1968, issn 1439-4235, 12 p.Article

The collinear helium atom: adiabatic potential curves and quasi-separable approximation in hyperspherical coordinatesSIMONOVIC, Nenad.Journal of physics. B. Atomic, molecular and optical physics (Print). 2011, Vol 44, Num 10, issn 0953-4075, 105004.1-105004.13Article

Determination of the vibrational density of states and emission spectrum of lutetium monoxideGRADO-CAFFARO, María-Angeles; GRADO-CAFFARO, Martín.ChemPhysChem (Print). 2010, Vol 11, Num 8, pp 1659-1661, issn 1439-4235, 3 p.Article

Electron shell contributions to gamma-ray spectra of positron annihilation in noble gasesFENG WANG; SELVAM, Lalitha; GRIBAKIN, Gleb F et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2010, Vol 43, Num 16, issn 0953-4075, 165207.1-165207.6Article

Interaction of 4p⁵4d^N+1 and 4p⁶4d^N―14f configurations and its influence on the photoexcitation and emission spectra in the isoelectronic and isonuclear sequencesKUCAS, S; KARAZIJA, R; JONAUSKAS, V et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2009, Vol 42, Num 20, issn 0953-4075, 205001.1-205001.10Article

Total-energy minimization of few-body electron systems in the real-space finite-difference schemeGOTO, Hidekazu; HIROSE, Kikuji.Journal of physics. Condensed matter (Print). 2009, Vol 21, Num 6, issn 0953-8984, 064231.1-064231.6Conference Paper

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Theoretical study of ground-state configurations 4f^N in Nd IV, Pr IV and Nd VWYART, Jean-Francois; MEFTAH, Ali; SINZELLE, Jocelyne et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2008, Vol 41, Num 8, issn 0953-4075, 085001.1-085001.12Article

Lebedev discrete variable representationHAXTON, Daniel J.Journal of physics. B. Atomic, molecular and optical physics (Print). 2007, Vol 40, Num 23, pp 4443-4451, issn 0953-4075, 9 p.Article

The quantum mechanical description of normal valent and multivalent iodine in the polyoxides of the type IO_nX, X=H, CH₃, n = 1, 2, 3KOSMAS, Agnie M; DROUGAS, Evangelos.Computational materials science. 2007, Vol 38, Num 3, pp 502-505, issn 0927-0256, 4 p.Conference Paper