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Theoretical Investigation of Excited State Proton Transfer Process in the N-Salicylidene-2-bromoethylamineMOGHADAM, Ahmad J; OMIDYAN, Reza; MIRKHANI, Valiollah et al.The journal of physical chemistry. A. 2013, Vol 117, Num 4, pp 718-725, issn 1089-5639, 8 p.Article

Accurate Determination of Barrier Height and Kinetics for the F + H₂O → HF + OH ReactionTHANH LAM NGUYEN; JUN LI; DAWES, Richard et al.The journal of physical chemistry. A. 2013, Vol 117, Num 36, pp 8864-8872, issn 1089-5639, 9 p.Article

Decomposition Pathways of the Neutral and Protonated Formamide in Some Lower-Lying Excited StatesHUYEN THI NGUYEN; VINH SON NGUYEN; NGUYEN TIEN TRUNG et al.The journal of physical chemistry. A. 2013, Vol 117, Num 33, pp 7904-7917, issn 1089-5639, 14 p.Article

FHF^― Isotopologues: Highly Anharmonic Hydrogen-Bonded Systems with Strong Coriolis InteractionSEBALD, Peter; BARGHOLZ, Arne; OSWALD, Rainer et al.The journal of physical chemistry. A. 2013, Vol 117, Num 39, pp 9695-9703, issn 1089-5639, 9 p.Article

High Temperature Shock Tube Studies on the Thermal Decomposition of O₃ and the Reaction of Dimethyl Carbonate with O-AtomsPEUKERT, S. L; SIVARAMAKRISHNAN, R; MICHAEL, J. V et al.The journal of physical chemistry. A. 2013, Vol 117, Num 18, pp 3729-3738, issn 1089-5639, 10 p.Article

Intrinsic Optical Activity and Conformational Flexibility: The Role of Size-Dependent Ring Morphology in Model CycloketonesLAHIRI, Priyanka; WIBERG, Kenneth B; VACCARO, Patrick H et al.The journal of physical chemistry. A. 2013, Vol 117, Num 47, pp 12382-12400, issn 1089-5639, 19 p.Article

Mechanism and Kinetics of the Atmospheric Oxidative Degradation of Dimethylphenol Isomers Initiated by OH RadicalSANDHIYA, L; KOLANDAIVEL, P; SENTHILKUMAR, K et al.The journal of physical chemistry. A. 2013, Vol 117, Num 22, pp 4611-4626, issn 1089-5639, 16 p.Article

The 1 ³A' HCN and 1 ³A' HCO⁺ Vibrational Frequencies and Spectroscopic Constants from Quartic Force FieldsFORTENBERRY, Ryan C; XINCHUAN HUANG; CRAWFORD, T. Daniel et al.The journal of physical chemistry. A. 2013, Vol 117, Num 39, pp 9324-9330, issn 1089-5639, 7 p.Article

The Uncertain Bond Energy of the NaAu Molecule: Experimental Redetermination and Coupled Cluster CalculationsCICCIOLI, A; GIGLI, G.The journal of physical chemistry. A. 2013, Vol 117, Num 23, pp 4956-4962, issn 1089-5639, 7 p.Article

Thermodynamics of Tetravalent Thorium and Uranium Complexes from First-Principles CalculationsJOHNSON, Donald F; BHASKARAN-NAIR, Kiran; BYLASKA, Eric J et al.The journal of physical chemistry. A. 2013, Vol 117, Num 23, pp 4988-4995, issn 1089-5639, 8 p.Article

Three-Body Nonadditive Potential for Argon with Estimated Uncertainties and Third Virial CoefficientCENCEK, Wojciech; GARBEROGLIO, Giovanni; HARVEY, Allan H et al.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 7542-7552, issn 1089-5639, 11 p.Article

Slow Photoelectron Velocity-Map Imaging Spectroscopy of Cold Thiozonide (S₃^―)KIM, Jongjin B; HOCK, Christian; YACOVITCH, Tara I et al.The journal of physical chemistry. A. 2013, Vol 117, Num 34, pp 8126-8131, issn 1089-5639, 6 p.Conference Paper

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On the actual nature of the anti-ferromagnetism shown by unrestricted calculations on conjugated hydrocarbon ringsSAN-FABIAN, E; MOSCARDO, F.The European physical journal. D, Atomic, molecular and optical physics (Print). 2011, Vol 64, Num 2-3, pp 239-248, issn 1434-6060, 10 p.Article

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Sc III spectral properties of astrophysical interestNANDY, D. K; SIGH, Y; SAHOO, B. K et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2011, Vol 44, Num 22, issn 0953-4075, 225701.1-225701.11Article

Quantum Chemical Study of the Reaction between Ni⁺ and H₂SLAKUNTZA, Oier; MATXAIN, Jon M; UGALDE, Jesus M et al.ChemPhysChem (Print). 2010, Vol 11, Num 14, pp 3172-3178, issn 1439-4235, 7 p.Article

Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitationsSØRENSEN, L. K; FLEIG, T; OLSEN, J et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2009, Vol 42, Num 16, issn 0953-4075, 165102.1-165102.11Article

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Triplet-State Aromaticity of 4nπ-Electron Monocycles : Analysis of Bifurcation in the π Contribution to the Electron Localization FunctionVILLAUME, Sebastien; FOGARTY, Heather A; OTTOSSON, Henrik et al.ChemPhysChem (Print). 2008, Vol 9, Num 2, pp 257-264, issn 1439-4235, 8 p.Article

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