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Results 1 to 25 of 1921

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On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl―He complexAJILI, Yosra; HAMMAMI, Kamel; JAIDANE, Nejm Eddine et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10062-10070, issn 1463-9076, 9 p.Article

Potential energy surfaces for ground and excited electronic states of the CF3I molecule and their relevance to its A-band photodissociationALEKSEYEV, Aleksey B; LIEBERMANN, Heinz-Peter; BUENKER, Robert J et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 18, pp 6660-6666, issn 1463-9076, 7 p.Article

Enhanced stability of superheavy nuclei due to high-spin isomerismXU, F. R; ZHAO, E. G; WYSS, R et al.Physical review letters. 2004, Vol 92, Num 25, pp 252501.1-252501.4, issn 0031-9007, 1Article

Modeling of high-order terms in potential energy surface expansions using the reference-geometry Harris―Foulkes methodMEIER, Patrick; BELLCHAMBERS, Greg; KLEPP, Julian et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10233-10240, issn 1463-9076, 8 p.Article

Generation of full dimensional potential energy surfaces for atmospherically important charge transfer tetratomic complexes: the case of the OMgOO+ radical cationYAZIDI, O; HOCHLAF, M.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 10158-10166, issn 1463-9076, 9 p.Article

Theory of the transition from sequential to concerted electrochemical proton―electron transferKOPER, Marc T. M.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 5, pp 1399-1407, issn 1463-9076, 9 p.Article

Magnetic trapping of ultracold Rydberg atomsLESANOVSKY, Igor; SCHMELCHER, Peter.Physical review letters. 2005, Vol 95, Num 5, pp 053001.1-053001.4, issn 0031-9007Article

Nuclear fission modes and fragment mass asymmetries in a five-dimensional deformation spaceMÖLLER, P; MADLAND, D. G; SIERK, A. J et al.Nature (London). 2001, Vol 409, Num 6822, pp 785-790, issn 0028-0836Article

A quick look at hydrogen bondsDOUHAL, A.Science (Washington, D.C.). 1997, Vol 276, Num 5310, pp 221-222, issn 0036-8075Article

Quantum thermal rate constants for the exchange reactions of hydrogen isotopes : D+H2TAE JUN PARK; LIGHT, J. C.The Journal of chemical physics. 1991, Vol 94, Num 4, pp 2946-2955, issn 0021-9606Article

Quasiclassical Trajectory Study of CH3NO2 Decomposition via Roaming Mediated Isomerization Using a Global Potential Energy SurfaceHOMAYOON, Zahra; BOWMAN, Joel M.The journal of physical chemistry. A. 2013, Vol 117, Num 46, pp 11665-11672, issn 1089-5639, 8 p.Article

State-to-State Photodissociation Dynamics of H2O in the B-band: Competition between Two Coexisting Nonadiabatic PathwaysLINSEN ZHOU; BIN JIANG; DAIQIAN XIE et al.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 6940-6947, issn 1089-5639, 8 p.Article

On the role of vibrationally excited H2 as a source of OH in the mesosphereBALAKRISHNAN, N.Geophysical research letters. 2004, Vol 31, Num 4, pp L04106.1-L04106.4, issn 0094-8276Article

Ternary fission fragmentation of 252Cf for all possible third fragmentsMANIMARAN, K; BALASUBRAMANIAM, M.European physical journal. A, Hadrons and nuclei (Print). 2010, Vol 45, Num 3, pp 293-300, issn 1434-6001, 8 p.Article

Potential energy surfaces and penetrabilities for sub-barrier synthesis of Z = 118 isotopesGHERGHESCU, R. A; GREINER, W; HOFMANN, S et al.The European physical journal. A, Hadrons and nuclei. 2006, Vol 27, Num 1, pp 23-32, 10 p.Article

A completely general methodology for fitting three-dimensional ab initio potential energy surfacesSALAZAR, Michael R.Chemical physics letters. 2002, Vol 359, Num 5-6, pp 460-465, issn 0009-2614Article

Quantum scattering on the Σ-Π intersection of potential energy surfacesOSHEROV, V. I; POLUYANOV, L. V; USHAKOV, V. G et al.Chemical physics. 1994, Vol 185, Num 1, pp 123-128, issn 0301-0104Article

Implications of rotation-inversion-permutation invariance for analytic molecular potential energy surfacesCOLLINS, M. A; PARSONS, D. F.The Journal of chemical physics. 1993, Vol 99, Num 9, pp 6756-6772, issn 0021-9606Article

Rotationally-Resolved Spectroscopy of the Donor Bending Mode of (D2O)2STEWART, Jacob T; MCCALL, Benjamin J.The journal of physical chemistry. A. 2013, Vol 117, Num 50, pp 13491-13499, issn 1089-5639, 9 p.Article

Zwitterion vs Neutral Structures of Amino Acids Stabilized by a Negatively Charged Site: Infrared Photodissociation and Computations of Proline-Chloride AnionSCHMIDT, Jacob; KASS, Steven R.The journal of physical chemistry. A. 2013, Vol 117, Num 23, pp 4863-4869, issn 1089-5639, 7 p.Article

Constrained relativistic mean-field approach with fixed configurationsLÜ, H. F; GENG, L. S; MENG, J et al.The European physical journal. A, Hadrons and nuclei. 2007, Vol 31, Num 3, pp 273-278, 6 p.Article

Electronic non-adiabatic transitions : the line integral and approximationsBAER, Michael; ENGLMAN, Robert.Chemical physics letters. 2001, Vol 335, Num 1-2, pp 85-88, issn 0009-2614Article

Rovibrational Energies of the Hydrocarboxyl Radical from a RCCSD(T) StudyMLADENOVIC, Mirjana.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 7224-7235, issn 1089-5639, 12 p.Article

Prolate structures in 189Po and 185PbVAN DE VEL, K; ANDREYEV, A. N; KOJOUHAROV, I et al.The European physical journal. A, Hadrons and nuclei. 2005, Vol 24, Num 1, pp 57-62, 6 p.Article

Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction methodXIAO SHAN; CLARY, David C.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 4, pp 1222-1231, issn 1463-9076, 10 p.Article

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