Amino acid analogues bind to carbon nanotube viaππ - Interactions: Comparison of molecular mechanical and quantum mechanical calculations
- Zaixing Yang
- Zhigang Wang
- et al.
- 2012
- Journal of Chemical Physics
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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127 results at Journal of Chemical Physics
Communication: Strong excitonic and vibronic effects determine the optical properties of Li2O2
- J.M. Garcia-Lastra
- John Bass
- et al.
- 2011
- Journal of Chemical Physics
Thermodynamic stability of a bi-layer of copper nitride on Cu(100) surface
- Raghani Pushpa
- Izaak Williamson
- et al.
- 2011
- Journal of Chemical Physics
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics
- Jan-Hendrik Prinz
- John D. Chodera
- et al.
- 2011
- Journal of Chemical Physics
Dynamical reweighting: Improved estimates of dynamical properties from simulations at multiple temperatures
- John D. Chodera
- William C. Swope
- et al.
- 2011
- Journal of Chemical Physics
First passage time distribution in stochastic processes with moving and static absorbing boundaries with application to biological rupture experiments
- Zhonghan Hu
- Liwen Cheng
- et al.
- 2010
- Journal of Chemical Physics
Recrystallization of picosecond laser-melted ZnO nanoparticles in a liquid: A molecular dynamics study
- Ming Hu
- Dimos Poulikakos
- et al.
- 2010
- Journal of Chemical Physics
Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
- J.S. Hummelshøj
- J. Blomqvist
- et al.
- 2010
- Journal of Chemical Physics
Assessment of an analytical density matrix derived from a modified Colle-Salvetti approach to the electron gas
- Śbastien Ragot
- 2010
- Journal of Chemical Physics
H3+ as a trap for noble gases-3: Multiple trapping of neon, argon, and krypton in Xn H3+ (n=1-3)
- F. Pauzat
- Y. Ellinger
- et al.
- 2009
- Journal of Chemical Physics