TY - JOUR AU - Crespo-Otero, Rachel AU - Suardíaz Delrío, Reynier AU - Montero, Luis Alberto AU - García de la Vega, José PY - 2007 DO - 10.1063/1.2752805 SN - 0021-9606 UR - https://hdl.handle.net/20.500.14352/92256 T2 - The Journal of Chemical Physics AB - The potential energy surface of the CH4¯NO van der Waals complexes was explored at the RCCSD T/aug-cc-pVTZ level including the full counterpoise correction to the basis set superposition error. The Jahn-Teller distortion of the C3v configurations for... LA - eng PB - American Institute of Physics KW - Ab-initio methods KW - Band gap KW - Jahn-Teller distortion KW - Correlation-consistent basis sets KW - Potential energy surfaces KW - Energy system KW - Hamiltonian mechanics KW - Harmonic oscillator KW - Chemical elements KW - Zero point energy TI - Potential energy surfaces and Jahn-Teller effect on CH4⋯NO complexes TY - journal article VL - 127 ER -