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Beyond Born-Oppenheimer theory for ab initio constructed diabatic potential energy surfaces of singlet H3+ to study reaction dynamics using coupled 3D time-dependent wave-packet approach.
Ghosh, Sandip; Mukherjee, Saikat; Mukherjee, Bijit; Mandal, Souvik; Sharma, Rahul; Chaudhury, Pinaki; Adhikari, Satrajit.
Afiliação
  • Ghosh S; Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata, West Bengal 700 032, India.
  • Mukherjee S; Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata, West Bengal 700 032, India.
  • Mukherjee B; Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata, West Bengal 700 032, India.
  • Mandal S; Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata, West Bengal 700 032, India.
  • Sharma R; St. Xavier's College, 30 Mother Teresa Sarani, Kolkata, West Bengal 700 016, India.
  • Chaudhury P; Department of Chemistry, University of Calcutta, Kolkata 700 009, India.
  • Adhikari S; Department of Physical Chemistry, Indian Association for the Cultivation of Science, 2A & 2B Raja S. C. Mullick Road, Jadavpur, Kolkata, West Bengal 700 032, India.
J Chem Phys ; 147(7): 074105, 2017 Aug 21.
Article em En | MEDLINE | ID: mdl-28830157
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Índia
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2017 Tipo de documento: Article País de afiliação: Índia