Khalil Ahmed, Gabriel G. Balint-Kurti, Colin M. Western
págs. 10041-10051
Susumu Okazaki, Taiji Mikami
págs. 10052-10064
X-ray absorption spectra of water within a plane-wave Car-Parrinello molecular dynamics framework
Lars G. M. Pettersson, Michael Odelius, Matteo Cavalleri, Anders Nilsson
págs. 10065-10075
págs. 10076-10087
Vibrational relaxation in the condensed phase
H. J. Bakker
págs. 10088-10095
A modified TIP3P water potential for simulation with Ewald summation
Charles L. Brooks, Daniel J. Price
págs. 10096-10103
págs. 10104-10110
Density-functional theory-based molecular simulation study of liquid methanol
Jan-Willem Handgraaf, Evert Jan Meijer, Marie-Pierre Gaigeot
págs. 10111-10119
Out-of-equilibrium dynamical fluctuations in glassy systems
M. Sellitto, C. Chamon, P. Charbonneau, D. R. Reichman, L. F. Cugliandolo
págs. 10120-10137
Photocontrolled oscillatory dynamics in the bromate-1,4-cyclohexanedione reaction
Do Sung Huh, Bei Zhao, Krishan Yadav, Jichang Wang, QingYu Gao
págs. 10138-10144
Combinatorial entropy and phase diagram of partially ordered ice phases
Carlos Vega, Luis González MacDowell, Eduardo Sanz, Joséuis F. Abascal
págs. 10145-10158
Locating stationary points of sorbate-zeolite potential energy surfaces using interval analysis
Mark A. Stadtherr, Youdong Lin
págs. 10159-10166
Two-photon two-color nuclear magnetic resonance
Carl A. Michal, Philip T. Eles
págs. 10167-10173
O. Berg, M. Bonn, W. G. Roeterdink
págs. 10174-10180
Luc Parenteau, Pawel Mozejko, Leon Sanche, Andrew D. Bass
págs. 10181-10189
Radiative and nonradiative decay rates of a molecule close to a metal particle of complex shape
Oliviero Andreussi, Stefano Corni, Jacopo Tomasi, Benedetta Mennucci
págs. 10190-10202
Katharina Nilson, James N. OèShea, Barbara Brena, Vin R. Dhanak, Yi Luo, Carla Puglia, Janine C. Swarbrick
págs. 10203-10208
E. Flikkema, S. T. Bromley, A. W. C. van den Berg, J. C. Jansen
págs. 10209-10216
Md. Nazrul Islam, Teiji Kato
págs. 10217-10222
págs. 10223-10232
CdS:Mn nanocrystals passivated by ZnS: Synthesis and luminescent properties
Paul H. Holloway, Heesun Yang, Kirk S. Schanze, Garry Cunningham
págs. 10233-10240
David S. Sholl, Bhawna Bhatia, Tao Li
págs. 10241-10249
R. P. Sreekanth Chakradhar, J. L. Rao, K. P. Ramesh, G. T. Chandrappa, B. M. Nagabhushana
págs. 10250-10259
E. Umbach, Th. Schmidt, M. Jung, A. Schåll, R. Fink, Y. Zou
págs. 10260-10267
Translocation of a ß-hairpin-forming peptide through a cylindrical tunnel
Dmitrii E. Makarov, Venkat Ganesan, Serdal Kirmizialtin
págs. 10268-10277
Fractional Brownian dynamics in proteins
G. R. Kneller, K. Hinsen
págs. 10278-10283
Effect of salt bridges on the energy landscape of a model protein
David J. Wales, Peter E. J. Dewsbury
págs. 10284-10290
General relationships between the mobility of a chain fluid and various computed scalar metrics
Douglas B. Adolf, Joanne Budzien, John D. McCoy
págs. 10291-10298
Y. Huh, N. M. Cann
págs. 10299-10308
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