Dissociative Photodetachment of the Ethoxide Anion and Stability of the Ethoxy Radical CH₃CH₂OPOAD, Berwyck L. J; RAY, Amelia W; CONTINETTI, Robert E et al.The journal of physical chemistry. A. 2013, Vol 117, Num 46, pp 12035-12041, issn 1089-5639, 7 p.Article

Ab initio study of the structure and magnetism of atomic oxygen adsorbed Sc_n (n = 2―14) clustersJINLAN WANG; YANBIAO WANG; GUANGFEN WU et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 28, pp 5980-5985, issn 1463-9076, 6 p.Article

Ab initio and DFT analysis of the low-lying electronic states of metal dihalides: quantum chemical calculations on the neutral BrMCl (M = Cu, Ag, Au)ATSUMI, Michiko; LINDH, Roland; GONZALEZ, Leticia et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10151-10157, issn 1463-9076, 7 p.Article

Coupled Large Amplitude Motions: A Case Study of the Dimethylbenzaldehyde IsomersTUDORIE, M; KLEINER, I; JAHN, M et al.The journal of physical chemistry. A. 2013, Vol 117, Num 50, pp 13636-13647, issn 1089-5639, 12 p.Article

On the Condensed Phase Ring-Closure of Vinylheptafulvalene and Ring-Opening of Gaseous DihydroazuleneSCHALK, Oliver; BROMAN, Søren L; PETERSEN, Michael A et al.The journal of physical chemistry. A. 2013, Vol 117, Num 16, pp 3340-3347, issn 1089-5639, 8 p.Article

Optical, Mechanical, and Opto-Mechanical Switching of Anchored Dithioazobenzene BridgesTURANSKY, Robert; KONOPKA, Martin; DOLTSINIS, Nikos L et al.ChemPhysChem (Print). 2010, Vol 11, Num 2, pp 345-348, issn 1439-4235, 4 p.Article

Microsolvation of an ionic dopant in small ⁴He clusters : OH⁺(³Σ)(⁴He)_N via genetic algorithm optimizationsMARINETTI, Fabio; BODO, Enrico; GIANTURCO, Franco A et al.ChemPhysChem (Print). 2007, Vol 8, Num 1, pp 93-100, issn 1439-4235, 8 p.Article

Ab initio treatment of the behavior of TNT in soilALZATE, Liliana F; RAMOS, Carmen M; HERNANDEZ, Samuel P et al.Proceedings of SPIE, the International Society for Optical Engineering. 2005, issn 0277-786X, isbn 0-8194-5779-5, 2Vol, vol 2, 1300-1309Conference Paper

Potential Curves for the Dissociative Recombination of COGUBERMAN, Steven L.The journal of physical chemistry. A. 2013, Vol 117, Num 39, pp 9704-9711, issn 1089-5639, 8 p.Article

Polarization and site dependence of interatomic relaxation effects in double core hole statesTASHIRO, Motomichi; KRYZHEVOI, Nikolai V; CEDERBAUM, Lorenz S et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2013, Vol 46, Num 16, issn 0953-4075, 164012.1-164012.6Article

Using Anisotropy Measurements from A-Band Photodissociation to Interrogate the Excited States of H₂SeXIAODONG ZHANG; JOHNSON, Michael; KOPLITZ, Brent et al.The journal of physical chemistry. A. 2013, Vol 117, Num 46, pp 11963-11969, issn 1089-5639, 7 p.Article

An ab initio study of the spectral properties of W IIKARPUSKIENE, R; RANCOVA, O; BOGDANOVICH, P et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2010, Vol 43, Num 8, issn 0953-4075, 085002.1-085002.6Article

Investigation of the p-coronene series in the context of the 'annulene-within-an-annulene' model by means of ipso-centric ab initio calculations of π-electron currentsMONACO, Guglielmo; ZANASI, Riccardo.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 40, pp 17654-17657, issn 1463-9076, 4 p.Article

Ab Initio Potential Energy and Dipole Moment Surfaces for CS₂: Determination of Molecular Vibrational EnergiesPRADHAN, Ekadashi; CARREON-MACEDO, José-Luis; CUERVO, Javier E et al.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 6925-6931, issn 1089-5639, 7 p.Article

Far-Infrared Spectrum of S(CN)₂ Measured with Synchrotron Radiation: Global Analysis of the Available High-Resolution Spectroscopic DataKISIEL, Zbigniew; WINNEWISSER, Manfred; WINNEWISSER, Brenda P et al.The journal of physical chemistry. A. 2013, Vol 117, Num 50, pp 13815-13824, issn 1089-5639, 10 p.Article

Low Temperature Rate Coefficients for the Reaction CN + HC₃NSIDATY CHEIKH SID ELY; MORALES, Sébastien B; GUILLEMIN, Jean-Claude et al.The journal of physical chemistry. A. 2013, Vol 117, Num 46, pp 12155-12164, issn 1089-5639, 10 p.Article

Is the Use of Diffuse Functions Essential for the Properly Description of Noncovalent Interactions Involving Anions?BAUZA, Antonio; QUINONERO, David; DEYA, Pere M et al.The journal of physical chemistry. A. 2013, Vol 117, Num 12, pp 2651-2655, issn 1089-5639, 5 p.Article

Thole Model for Ionic Liquid PolarizabilityYIXUAN GU; TIANYING YAN.The journal of physical chemistry. A. 2013, Vol 117, Num 1, pp 219-227, issn 1089-5639, 9 p.Article

Construction of Diabatic Hamiltonian Matrix from ab Initio Calculated Molecular Symmetry Adapted Nonadiabatic Coupling Terms and Nuclear Dynamics for the Excited States of Na₃ ClusterMUKHERJEE, Saikat; BANDYOPADHYAY, Sudip; AMIT KUMAR PAUL et al.The journal of physical chemistry. A. 2013, Vol 117, Num 16, pp 3475-3495, issn 1089-5639, 21 p.Article

High-Resolution Spectroscopy of C₃ around 3 μmKRIEG, Jiirgen; LUTTER, Volker; ENDRES, Christian P et al.The journal of physical chemistry. A. 2013, Vol 117, Num 16, pp 3332-3339, issn 1089-5639, 8 p.Article

Multireference Ab Initio Study of the Ground and Low-Lying Excited States of Cr(CO)₂ and Cr(CO)₃KIM, Joonghan; KIM, Jeongho; IHEE, Hyotcherl et al.The journal of physical chemistry. A. 2013, Vol 117, Num 18, pp 3861-3868, issn 1089-5639, 8 p.Article

On the Anisotropy of van der Waals Atomic Radii of O, S, Se, F, Cl, Br, and IERAMIAN, Hamed; TIAN, Yong-Hui; FOX, Zach et al.The journal of physical chemistry. A. 2013, Vol 117, Num 51, pp 14184-14190, issn 1089-5639, 7 p.Article

Ab initio calculations of the ³³S 3p⁴³P_J and ³³S^―/^37,35Cl 3p⁵²P^O_J hyperfine structuresCARETTE, T; GODEFROID, M. R.Journal of physics. B. Atomic, molecular and optical physics (Print). 2011, Vol 44, Num 10, issn 0953-4075, 105001.1-105001.9Article

Effects of valence-valence, core-valence and core-core correlations on the fine-structure energy levels in Zn-like ionsHU, F; JIANG, G; YANG, J. M et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2011, Vol 61, Num 1, pp 15-20, issn 1434-6060, 6 p.Article

Photoassociation spectroscopy of ultracold metastable ³He dimersCOCKS, Daniel G; PEACH, Gillian; WHITTINGHAM, Ian B et al.PCCP. Physical chemistry chemical physics (Print). 2011, Vol 13, Num 42, pp 18724-18733, issn 1463-9076, 10 p.Article