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Results 1 to 25 of 68

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Accurate Study on the Quantum Dynamics of the He + HeH+ (X1Σ+) Reaction on A New ab Initio Potential Energy Surface for the Lowest 11A' Electronic Singlet StateWENWU XU; PEIYU ZHANG.The journal of physical chemistry. A. 2013, Vol 117, Num 7, pp 1406-1412, issn 1089-5639, 7 p.Article

Theoretical Calculation of Reorganization Energy for Electron Self-Exchange Reaction by Constrained Density Functional Theory and Constrained Equilibrium ThermodynamicsREN, Hai-Sheng; MING, Mei-Jun; MA, Jian-Yi et al.The journal of physical chemistry. A. 2013, Vol 117, Num 33, pp 8017-8025, issn 1089-5639, 9 p.Article

Nature of the Interaction between Natural and Size-Expanded Guanine with Gold Clusters: A Density Functional Theory StudyWENMING SUN; DI FELICE, Rosa.Journal of physical chemistry. C. 2012, Vol 116, Num 47, pp 24954-24961, issn 1932-7447, 8 p.Article

Observation of Resonances in Penning Ionization Reactions at Sub-Kelvin Temperatures in Merged BeamsHENSON, A. B; GERSTEN, S; SHAGAM, Y et al.Science (Washington, D.C.). 2012, Vol 338, Num 6104, pp 234-238, issn 0036-8075, 5 p.Article

Ionic interactions and collision dynamics in cold traps : rotational quenching of OH-(1Σ+) by Rb(2S)SANCHEZ, L. G; TACCONI, M; BODO, E et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2008, Vol 49, Num 1, pp 85-92, issn 1434-6060, 8 p.Article

Born-Oppenheimer potential energy for interaction of antihydrogen with molecular hydrogenSTRASBURGER, Krzysztof.Journal of physics. B. Atomic, molecular and optical physics (Print). 2005, Vol 38, Num 17, pp 3197-3205, issn 0953-4075, 9 p.Article

The structuring of a molecular dopant in a quantum solvent : OCS(H2)N Van der Waals clustersPICCARRETA, C; GIANTURCO, F. A.The European physical journal. D, Atomic, molecular and optical physics (Print). 2005, Vol 37, Num 1, pp 93-103, issn 1434-6060, 11 p.Article

The torsional excitation of methanol by heliumPOTTAGE, J. T; FLOWER, D. R; DAVIS, Stephen L et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2004, Vol 37, Num 1, pp 165-177, issn 0953-4075, 13 p.Article

Blue satellite bands of KRb molecule: Intermediate long-range statesSKENDEROVIC, H; BEUC, R; BAN, T et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2002, Vol 19, Num 1, pp 49-56, issn 1434-6060Article

Collisional quantum interference on rotational energy transfer: (II) in a polar diatom-diatom systemMENGTAO SUN; HONGMEI TIAN; GUOHE SHA et al.Chemical physics letters. 2002, Vol 361, Num 1-2, pp 8-14, issn 0009-2614Article

Basic data of polyatomic ion-molecule systems for flue gas discharge modellingNELSON, D; BENHENNI, M; YOUSFI, M et al.Journal of physics. D, Applied physics (Print). 2001, Vol 34, Num 22, pp 3247-3255, issn 0022-3727Article

Simple analysis of intermolecular potentials : the mBq pair potential for collisions and energy transferSVEDUNG, Harald; NORDHOLM, Sture; NYELAND, Carl et al.PCCP. Physical chemistry chemical physics (Print). 2001, Vol 3, Num 12, pp 2209-2215, issn 1463-9076Conference Paper

Direct determination of the interaction potentials for SF6-Ar, SF6-Kr and SF6-Xe from the extended law of corresponding statesHAGHIGHI, B; MAGHARI, A; NAJAFI, M et al.Journal of the Physical Society of Japan. 1998, Vol 67, Num 9, pp 3086-3089, issn 0031-9015Article

Calculation of second virial coefficients of alkanes with the MM2 and MM3 force fieldsNAGY, J; SMITH, V. H; WEAVER, D. F et al.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1039-1047, issn 0026-8976Article

Comparison of semi-classical and quantum-mechanical methods for the determination of transport cross sectionsLEVIN, E; SCHWENKE, D. W; STALLCOP, J. R et al.Chemical physics letters. 1994, Vol 227, Num 6, pp 669-675, issn 0009-2614Article

Singlet-triplet and cooperative transitions induced by collisions between oxygen and ethylene moleculesMINAEV, B. F.Russian journal of physical chemistry. 1994, Vol 68, Num 7, pp 1110-1115, issn 0036-0244Article

Ion Association in Aqueous Solutions Probed through Vibrational Energy Transfers among Cation, Anion, and Water MoleculesJIEBO LI; HONGTAO BIAN; HAILONG CHEN et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 16, pp 4274-4283, issn 1520-6106, 10 p.Article

Phosphorus As a Simultaneous Electron-Pair Acceptor in Intermolecular P···N Pnicogen Bonds and Electron-Pair Donor to Lewis AcidsDEL BENE, Janet E; ALKORTA, Ibon; SANCHEZ-SANZ, Goar et al.The journal of physical chemistry. A. 2013, Vol 117, Num 14, pp 3133-3141, issn 1089-5639, 9 p.Article

Dipole Moment Surfaces of the CH4 + ˙X → CH3˙ + HX (X = F, Cl) Reactions from Atomic Dipole Moment Surfaces, and the Origins of the Sharp Extrema of the Dipole Moments near the Transition StatesMATTA, Chérif F; SOWLATI-HASHJIN, Shahin; BANDRAUK, André D et al.The journal of physical chemistry. A. 2013, Vol 117, Num 32, pp 7468-7483, issn 1089-5639, 16 p.Article

Intermolecular Interaction in the NH3―H2 and H2O―H2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge TransferPIRANI, Fernando; CAPPELLETTI, David; BELPASSI, Leonardo et al.The journal of physical chemistry. A. 2013, Vol 117, Num 47, pp 12601-12607, issn 1089-5639, 7 p.Article

Rate Constant and Branching Fraction for the NH2+ NO2 ReactionKLIPPENSTEIN, Stephen J; HARDING, Lawrence B; GLARBORG, Peter et al.The journal of physical chemistry. A. 2013, Vol 117, Num 37, pp 9011-9022, issn 1089-5639, 12 p.Article

Ultralong-range polyatomic Rydberg molecules formed by a polar perturberRITTENHOUSE, Seth T; MAYLE, M; SCHMELCHER, P et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 2011, Vol 44, Num 18, issn 0953-4075, 184005.1-184005.6Article

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

Polarization effects in molecular mechanical force fieldsCIEPLAK, Piotr; DUPRADEAU, François-Yves; YONG DUAN et al.Journal of physics. Condensed matter (Print). 2009, Vol 21, Num 33, issn 0953-8984, 333102.1-333102.21Article

Quenching efficiency of hot polar molecules by He buffer gas at ultralow energies : quantum results for MgH and LiH rotationsGONZALEZ-SANCHEZ, L; BODO, E; YURTSEVER, E et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2008, Vol 48, Num 1, pp 75-82, issn 1434-6060, 8 p.Article

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