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Volumn 9, Issue 1, 2013, Pages 65-72

Ab initio molecular dynamics study of the very short O-H·O hydrogen bonds in the condensed phases

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[No Author keywords available]

Indexed keywords


EID: 84872171868     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct300589r     Document Type: Article
Times cited : (9)

References (52)
  • 11
    • 0003842251 scopus 로고    scopus 로고
    • Simulating Proton Transfer Processes: Quantum Dynamics Embedded in a Classical Environment
    • Hadži, D. Wiley: New York
    • Berendsen, H.; Mavri, J. Simulating Proton Transfer Processes: Quantum Dynamics Embedded in a Classical Environment. In Theoretical Treatments of Hydrogen Bonding, Hadži, D., Ed.; Wiley: New York, 1997; Vol. 8, pp 119-141.
    • (1997) Theoretical Treatments of Hydrogen Bonding , vol.8 , pp. 119-141
    • Berendsen, H.1    Mavri, J.2
  • 36
    • 34047228663 scopus 로고    scopus 로고
    • Advanced Car-Parrinello Techniques: Path Integrals and Nonadiabaticity in Condensed Matter Simulations
    • Ferrario, M. Ciccotti, G. Binder, K. Springer: Berlin
    • Marx, D. Advanced Car-Parrinello Techniques: Path Integrals and Nonadiabaticity In Condensed Matter Simulations. In Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Vol. 2, Lect. Notes Phys.; Ferrario, M.; Ciccotti, G.; Binder, K., Eds.; Springer: Berlin, 2006; Vol. 704, pp 507-539.
    • (2006) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Vol. 2, Lect. Notes Phys. , vol.2 , pp. 507-539
    • Marx, D.1
  • 37
    • 33745113840 scopus 로고    scopus 로고
    • Path Integration via Molecular Dynamics
    • Grotendorst, J. Marx, D. Muramatsu, A. John von Neumann Institiute for Computing (NIC): Juelich, Germany
    • Tuckerman, M. E. Path Integration via Molecular Dynamics. In Quantum Simulation of Complex Many-Body Systems: From Theory to Algorithms; Grotendorst, J.; Marx, D.; Muramatsu, A., Eds.; John von Neumann Institiute for Computing (NIC): Juelich, Germany, 2002; Vol. 10, pp 269-298.
    • (2002) Quantum Simulation of Complex Many-Body Systems: From Theory to Algorithms , vol.10 , pp. 269-298
    • Tuckerman, M.E.1
  • 44
    • 84872184446 scopus 로고    scopus 로고
    • version 3.13.2; IBM Corp. Armonk, NY, 1990-2008, MPI für Festkörperforschung Stuttgart: Stuttgart, Germany, (accessed October 2012)
    • CPMD, version 3.13.2; IBM Corp.: Armonk, NY, 1990-2008, MPI für Festkörperforschung Stuttgart: Stuttgart, Germany, 1997-2001. http://www.cpmd.org (accessed October 2012).
    • (1997) CPMD


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.