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Atom dipole interaction model for molecular polarizability. Application to polyatomic molecules and determination of atom polarizabilities
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Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
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Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Force Fields for Protein Simulations
Ponder, J. W., & Case, D. A. (2003) · Advances in Protein Chemistry · doi:10.1016/s0065-3233(03)66002-x · Cited by 1,903
Babin, V., Leforestier, C., & Paesani, F. (2013) · Journal of Chemical Theory and Computation · doi:10.1021/ct400863t · Cited by 549
Molecular and Atomic Polarizabilities: Thole's Model Revisited
van Duijnen, P. T., & Swart, M. (1998) · The Journal of Physical Chemistry A · doi:10.1021/jp980221f · Cited by 537
Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator
Lopes, P. E. M., Huang, J., Shim, J., Luo, Y., Li, H., Roux, B., & MacKerell, A. D. (2013) · Journal of Chemical Theory and Computation · doi:10.1021/ct400781b · Cited by 386
Stern, H. A., Kaminski, G. A., Banks, J. L., Zhou, R., Berne, B. J., & Friesner, R. A. (1999) · The Journal of Physical Chemistry B · doi:10.1021/jp984498r · Cited by 270
Classical Electrostatics for Biomolecular Simulations
Cisneros, G. A., Karttunen, M., Ren, P., & Sagui, C. (2014) · Chemical Reviews · doi:10.1021/cr300461d · Cited by 259
Accurate molecular polarizabilities with coupled cluster theory and machine learning
Wilkins, D. M., Grisafi, A., Yang, Y., Lao, K. U., DiStasio, R. A., & Ceriotti, M. (2019) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1816132116 · Cited by 204
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.4c04100 · Cited by 136
Metadata
- Authors
- Applequist, J., Carl, J. R., & Fung, K.-K.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1972-05
- Volume
- 94
- Issue
- 9
- Pages
- 2952-2960
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2078118504
- Cited by
- 905
- References
- 1
- FWCI
- 3.78
- Type
- journal article
- Language
- en
- Open access
- green
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