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Ab Initio Investigation of the Ground State of C3H-: Potential Energy Function and Rovibrational Spectrum

机译：C3H-基态的从头算研究：势能函数和振动谱

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Hochlaf M.; Rosmus P.; Lakin N. M.; Maier J. P.;
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年度 2000
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机译：从头算态苯乙炔-氩分子间势能面和振动光谱
2. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum [J] . Cybulski H., Fernández B., Henriksen C., The Journal of Chemical Physics . 2012,第7期

机译：从头算态苯乙炔-氩分子间势能面和振动光谱
3. Ab initio potential energy surface, electric-dipole moment, polarizability tensor, and theoretical rovibrational spectra in the electronic ground state of (NH3+)-N-14 [J] . Yurchenko SN, Thiel W, Carvajal M, Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature . 2008,第1a3期

机译：（NH3 +）-N-14电子基态的从头算势能面，电偶极矩，极化率张量和理论振动光谱
4. Direct simulation of rovibrational excitation and dissociation in molecular nitrogen using an ab initio potential energy surface [C] . Paolo Valentini, Thomas E. Schwartzentruber, Jason D. Bender, AIAA SciTech Forum;AIAA aerospace sciences meeting . 2015

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5. Investigation on the mechanism of wear of single crystal diamond tool in nanometric cutting of iron using molecular dynamics (MD) and the development of generalized potential energy surfaces (GPES) based on ab initio calculations . [D] . Narulkar, Rutuparna. 2009

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7. New Double Many-Body Expansion Potential Energy Surface for Ground-State HCN from a Multiproperty Fit to Accurate ab Initio Energies and Rovibrational Calculations [O] . Varandas A. J. C., Rodrigues S. P. J. 2006

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8. R-Dependence of the Spin-Orbit Coupling Constant: Potential Energy Functions of Xe2+ by High-Resolution Photoelectron Spectroscopy and ab initio Quantum Chemistry; Journal article [R] . Zehnder, O., Mastalerz, R., Reiher, M., 2008

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Ab Initio Investigation of the Ground State of C3H-: Potential Energy Function and Rovibrational Spectrum

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