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QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input

(2015) JOURNAL OF COMPUTATIONAL CHEMISTRY. 36(13). p.1015-1027
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force-field development, metal-organic frameworks, automated software, QuickFF, MOLECULAR-DYNAMICS SIMULATIONS, molecular simulation, GAUSSIAN-BASIS SETS, NUCLEIC-ACIDS, DENSITY FUNCTIONALS, STRUCTURAL TRANSITION, ORBITAL METHODS, ADSORPTION, PROTEINS, MIL-53, PARAMETERIZATION

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Citation

Please use this url to cite or link to this publication:

Chicago
Vanduyfhuys, Louis, Steven Vandenbrande, Toon Verstraelen, Rochus Schmid, Michel Waroquier, and Veronique Van Speybroeck. 2015. “QuickFF: a Program for a Quick and Easy Derivation of Force Fields for Metal-organic Frameworks from Ab Initio Input.” Journal of Computational Chemistry 36 (13): 1015–1027.
APA
Vanduyfhuys, L., Vandenbrande, S., Verstraelen, T., Schmid, R., Waroquier, M., & Van Speybroeck, V. (2015). QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input. JOURNAL OF COMPUTATIONAL CHEMISTRY, 36(13), 1015–1027.
Vancouver
1.
Vanduyfhuys L, Vandenbrande S, Verstraelen T, Schmid R, Waroquier M, Van Speybroeck V. QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input. JOURNAL OF COMPUTATIONAL CHEMISTRY. 2015;36(13):1015–27.
MLA
Vanduyfhuys, Louis, Steven Vandenbrande, Toon Verstraelen, et al. “QuickFF: a Program for a Quick and Easy Derivation of Force Fields for Metal-organic Frameworks from Ab Initio Input.” JOURNAL OF COMPUTATIONAL CHEMISTRY 36.13 (2015): 1015–1027. Print.
@article{5991788,
  author       = {Vanduyfhuys, Louis and Vandenbrande, Steven and Verstraelen, Toon and Schmid, Rochus and Waroquier, Michel and Van Speybroeck, Veronique},
  issn         = {0192-8651},
  journal      = {JOURNAL OF COMPUTATIONAL CHEMISTRY},
  keyword      = {force-field development,metal-organic frameworks,automated software,QuickFF,MOLECULAR-DYNAMICS SIMULATIONS,molecular simulation,GAUSSIAN-BASIS SETS,NUCLEIC-ACIDS,DENSITY FUNCTIONALS,STRUCTURAL TRANSITION,ORBITAL METHODS,ADSORPTION,PROTEINS,MIL-53,PARAMETERIZATION},
  language     = {eng},
  number       = {13},
  pages        = {1015--1027},
  title        = {QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input},
  url          = {http://dx.doi.org/10.1002/jcc.23877},
  volume       = {36},
  year         = {2015},
}

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