Statistical mechanics: theory and molecular simulation ME Tuckerman
Oxford university press, 2023
1624 2023 Free energy calculations C Chipot, A Pohorille
Springer 86, 159-184, 2007
1369 2007 Free energy calculations C Chipot, A Pohorille
Springer 86, 159-184, 2007
1304 2007 K+/Na+ selectivity in K channels and valinomycin: over-coordination versus cavity-size constraints S Varma, D Sabo, SB Rempe
Journal of molecular biology 376 (1), 13-22, 2008
171 2008 Heat capacity estimators for random series path-integral methods by finite-difference schemes C Predescu, D Sabo, JD Doll, DL Freeman
The Journal of chemical physics 119 (23), 12119-12128, 2003
69 2003 Three-dimensional model calculation of torsional levels of (H2O) 3 and (D2O) 3 D Sabo, Z Bačić, T Bürgi, S Leutwyler
Chemical physics letters 244 (3-4), 283-294, 1995
69 1995 A constant entropy increase model for the selection of parallel tempering ensembles D Sabo, M Meuwly, DL Freeman, JD Doll
The Journal of chemical physics 128 (17), 2008
54 2008 Studies of the thermodynamic properties of hydrogen gas in bulk water D Sabo, S Varma, MG Martin, SB Rempe
The Journal of Physical Chemistry B 112 (3), 867-876, 2008
51 2008 Phase changes in selected Lennard-Jones X_ {13-n} Y_n clusters D Sabo, C Predescu, JD Doll, DL Freeman
The journal of chemical physics 121, 856, 2004
44 2004 Case study of Rb+(aq), quasi-chemical theory of ion hydration, and the no split occupancies rule D Sabo, D Jiao, S Varma, LR Pratt, SB Rempe
Annual Reports Section" C"(Physical Chemistry) 109, 266-278, 2013
40 2013 Three-dimensional model treatment of the torsional levels of isotopic water trimers D Sabo, Z Bačić, S Graf, S Leutwyler
Chemical physics letters 261 (3), 318-328, 1996
36 1996 Four-dimensional model calculation of torsional levels of cyclic water tetramer D Sabo, Z Bačić, S Graf, S Leutwyler
The Journal of chemical physics 109 (13), 5404-5419, 1998
32 1998 Molecular studies of the structural properties of hydrogen gas in bulk water D Sabo, SB Rempe, JA Greathouse, MG Martin
Molecular Simulation 32 (3-4), 269-278, 2006
28 2006 Energy estimators for random series path-integral methods C Predescu, D Sabo, JD Doll, DL Freeman
The Journal of chemical physics 119 (20), 10475-10488, 2003
28 2003 Numerical implementation of some reweighted path integral methods C Predescu, D Sabo, JD Doll
The Journal of chemical physics 119 (9), 4641-4654, 2003
28 2003 Very large amplitude intermolecular vibrations and wave function delocalization in 2,3- van der Waals complex A Bach, S Leutwyler, D Sabo, Z Bačić
The Journal of chemical physics 107 (21), 8781-8793, 1997
28 1997 Rotational constants of all H/D substituted water trimers: Coupling of intermolecular torsional and symmetric stretching modes D Sabo, Z Bačić, S Graf, S Leutwyler
The Journal of chemical physics 110 (12), 5745-5757, 1999
26 1999 Hydration of Kr (aq) in dilute and concentrated solutions MI Chaudhari, D Sabo, LR Pratt, SB Rempe
The Journal of Physical Chemistry B 119 (29), 9098-9102, 2015
24 2015 Calculated and experimental rotational constants of : Effects of intermolecular torsional and symmetric stretching excitations D Sabo, Z Bačić, S Graf, S Leutwyler
The Journal of chemical physics 111 (12), 5331-5337, 1999
20 1999 Taming the rugged landscape: Production, reordering, and stabilization of selected cluster inherent structures in the X13− nYn system D Sabo, JD Doll, DL Freeman
The Journal of chemical physics 121 (2), 847-855, 2004
19 2004