2.
Chandler, D. and I. Oppenheim, "Fluctuation
theory and critical phenomena," J. Chem. Phys. 49,
2121-2127 (1968). [LINK]
3.
Andersen, H.C. and D. Chandler, "Mode
expansion in equilibrium statistical mechanics. I. General
theory and application to the classical electron gas," J.
Chem. Phys. 53, 547-554 (1970). [LINK]
4.
Chandler, D. and J.D. Weeks, "Equilibrium
structure of simple liquids," Phys. Rev. Lett. 25,
149-152 (1970). [LINK]
5.
Chandler, D. and H.C. Andersen, "Mode expansion
in equilibrium statistical mechanics. II. A rapidly converging
theory of ionic solutions," J. Chem. Phys. 54,
26-33 (1971). [LINK]
6.
Weeks, J.D., D. Chandler and H.C. Andersen, "Role
of repulsive forces in forming the equilibrium structure
of simple liquids," J. Chem. Phys. 54, 5237-5247
(1971). [LINK]
7.
Andersen, H.C. and D. Chandler, "Mode expansion
in equilibrium statistical mechanics. III. Optimized convergence
and application to ionic solution theory," J. Chem. Phys. 55,
1497-1504 (1971). [LINK]
8.
Wheeler, J.C. and D. Chandler, "Catastrophe
in the random-phase approximation: Critique of a theory of
phase transitions," J. Chem. Phys. 55, 1645-1654
(1971). [LINK]
9.
Andersen, H.C., J.D. Weeks and D. Chandler, "Relationship
between the hard-sphere fluid and fluids with realistic repulsive
forces," Phys. Rev. A 4, 1597-1607 (1971).
[LINK]
10.
Weeks, J.D., D. Chandler and H.C. Andersen, "Perturbation
theory of the thermodynamic properties of simple liquids," J.
Chem. Phys. 55, 5422-5423 (1971). [LINK]
11.
Andersen, H.C., D. Chandler and J.D. Weeks, "Roles
of repulsive and attractive forces in liquids: The optimized
random phase approximation," J. Chem. Phys. 56,
3812-3823 (1972). [LINK]
12.
Sung, S. and D. Chandler, "Perturbation
theory for repulsive forces in classical fluids: Selected
applications," J. Chem. Phys. 56, 4989-4994
(1972). [LINK]
13.
Katz, I. and D. Chandler, "Nonexistence
of solid-like solutions to the mean-spherical-model equations," Phys.
Rev. Lett. 29, 247-249 (1972). [LINK]
14.
Andersen, H.C. and D. Chandler, "Optimized
cluster expansions for classical fluids. I. General theory
and variational formulations of mean spherical model and
hard sphere Percus-Yevick equations," J. Chem. Phys. 57,
1918-1929 (1972). [LINK]
15.
Chandler, D. and H.C. Andersen, "Optimized
cluster expansions for classical fluids. II. Theory of molecular
liquids," J. Chem. Phys. 57, 1930-1931 (1972).
[LINK]
16.
Andersen, H.C., D. Chandler and J.D. Weeks, "Optimized
cluster expansions for classical fluids. III. Applications
to ionic solutions and simple liquids," J. Chem. Phys. 57,
2626-2631 (1972). [LINK]
17.
Chandler, D., "Derivation of an integral
equation for pair correlation functions in molecular fluids," J.
Chem. Phys. 59, 2742-2746 (1973). [LINK]
18.
Kim, K. and D. Chandler, "Hard sphere diffusion
model and the velocity autocorrelation function for the Lennard-Jones
fluid," J. Chem. Phys. 59, 5215-5216 (1973).
[LINK]
19.
Lowden, L.J. and D. Chandler, "Solution
of a new integral equation for pair correlation functions
in molecular liquids," J. Chem. Phys. 59, 6587-6595
(1973). [LINK]
20.
Lowden, L.J. and D. Chandler, "Erratum
and Addenda: Solution of a new integral equation for pair
correlation function in molecular liquids," J. Chem. Phys. 62,
4246 (1975). [LINK]
21.
Sung, S. and D. Chandler, "Optimized cluster
theory, the Lennard-Jones fluid, and the liquid-gas phase
transition," Phys. Rev. A 9, 1688-1697 (1974).
[LINK]
22.
Chandler, D., "Translational and rotational
diffusion in liquids. I. Translational single particle correlation
functions," J. Chem. Phys. 60, 3500-3507 (1974).
[LINK]
23.
Chandler, D., "Translational and rotational
diffusion in liquids. II. Orientational single particle correlation
functions," J. Chem. Phys. 60, 3508-3512 (1974).
[LINK]
24.
Sung, S., D. Chandler and B.J. Alder, "Optimized
cluster theory corrections to the van der Waals model of
mixtures," J. Chem. Phys. 61, 932-935 (1974).
[LINK]
25.
Chandler, D., "Equilibrium structure and
molecular motion in liquids," Accts. Chem. Res. 7,
246-251 (1974). [LINK]
26.
Lowden, L.J. and D. Chandler, "Theory of
intermolecular pair correlations for molecular liquids. Applications
to the liquids Carbon Tetrachloride, Carbon Disulfide, Carbon
Diselenide, and Benzene," J. Chem. Phys. 61,
5228-5241 (1974). [LINK]
27.
Chandler, D., "Rough hard sphere theory
of the self-diffusion constant for molecular liquids," J.
Chem. Phys. 62, 1358-1367 (1975). [LINK]
28.
Ladanyi, B.M. and D. Chandler, "New type
of cluster theory for molecular fluids: Interaction site
cluster expansion," J. Chem. Phys. 62, 4308-4324
(1975). [LINK]
29.
Chandler, D., "Cluster diagrammatic analysis
of the RISM equation," Mol. Phys. 31, 1213-1223
(1976).[PDF]
30.
Hsu, C.S., D. Chandler and L.J. Lowden, "Application
of the RISM equation to diatomic fluids: The liquids Nitrogen,
Oxygen and Bromine," Chem. Phys. 14, 213-228
(1976). [LINK]
31.
Andersen, H.C., D. Chandler and J.D. Weeks, "Roles
of repulsive and attractive forces in liquids, The equilibrium
theory of classical fluids," Adv. Chem. Phys. 34,
105-155 (1976).[PDF]
32.
Chandler, D. and L.R. Pratt, "Statistical
mechanics of chemical equilibria and intramolecular structures
of non-rigid molecules in condensed phases," J. Chem.
Phys. 65, 2925-2940 (1976). [LINK]
33.
Pratt, L.R. and D. Chandler, "Interaction
site cluster series for the Helmholz free energy and variational
principle for chemical equilibria and intramolecular structures," J.
Chem. Phys. 66, 147-151 (1977). [LINK]
34.
Chandler, D., C.S. Hsu and W.B. Street, "Comparison
of Monte Carlo and RISM calculations for pair correlation
functions," J. Chem. Phys. 66, 5231-5234 (1977).
[LINK]
35.
Chandler, D, "The dielectric constant and
related equilibrium properties of molecular fluids: Interaction
site cluster theory analysis," J. Chem. Phys. 67,
1113-1124 (1977). [LINK]
36.
Pratt, L.R. and D. Chandler, "Theory of
the hydrophobic effect," J. Chem. Phys. 67,
3683-3704 (1977). [LINK]
37.
Chandler, D., "Statistical mechanics of
isomerization dynamics in liquids and the transition state
approximation," J. Chem. Phys. 68, 2959-2970
(1978). [LINK]
38.
Pratt, L.R., C.S. Hsu and D. Chandler, "Statistical
mechanics of small chain molecules in liquids. I. Effects
of liquid packing on conformational structures," J. Chem.
Phys. 68, 4202-4212 (1978). [LINK]
39.
Hsu, C.S., L.R. Pratt and D. Chandler, "Statistical
mechanics of small chain molecules in liquids. II. Intermolecular
pair correlations for liquid n-Butane," J. Chem. Phys. 68,
4213-4217 (1978). [LINK]
40.
Hsu, C.S. and D. Chandler, "RISM calculation
of the structure of liquid Acetonitrile," Mol. Phys. 36,
215-224 (1978).[PDF]
41.
Chandler, D., "Structures of molecular
liquids," Annu. Rev. Phys. Chem. 29, 441-471
(1978). [LINK]
42.
Chandler, D., "Effects of liquid structures
on chemical reactions and conformational changes of non-rigid
molecules in condensed phases," Faraday Discuss. Chem.
Soc. 66,
184-190 (1978). [LINK]
43.
Hsu, C.S. and D. Chandler, "RISM calculation
of the structure of liquid chloroform," Mol. Phys. 37,
299-301 (1979).[PDF]
44.
Rebertus, D.W., B.J. Berne and D. Chandler, "A
molecular dynamics and Monte Carlo study of solvent effects
on the conformational equilibrium of n-Butane in CCl4," J.
Chem. Phys. 70, 3395-3400 (1979). [LINK]
45.
Montgomery, J.A., Jr., D. Chandler and B.J. Berne, "Trajectory
analysis of a kinetic theory for isomerization dynamics
in condensed phases," J. Chem.
Phys. 70, 4056-4066 (1979). [LINK]
46.
Chandler, D. and B.J. Berne, "Comment on
the role of constraints on the conformational structure of
n-Butane in liquid solvents," J. Chem. Phys. 71,
5386-5387 (1979). [LINK]
47.
Pratt, L.R. and D. Chandler, "Hydrophobic
interactions and osmotic second virial coefficients for Methanol
in water," J. Solution Chem. 9, 1-17 (1980).
[LINK]
48.
Pratt, L.R. and D. Chandler, "Effective
intramolecular potentials for molecular Bromine in Argon," J.
Chem. Phys. 72, 4045-4048 (1980). [LINK]
49.
Pratt, L.R., R.O. Rosenberg, B.J. Berne and D. Chandler, "Comment
in the structure of a simple liquid solvent near an n-Butane
solute molecule," J. Chem. Phys. 73,
1002-1003 (1980). [LINK]
50.
Chandler, D., Book Review "Assemblies in
Solution," Science 208, 1363 (1980). [LINK]
51.
Pratt, L.R. and D. Chandler, "Hydrophobic
solvation of nonspherical solutes," J. Chem. Phys. 73,
3430-3433 (1980). [LINK]
52.
Pratt, L.R. and D. Chandler, "Effects of
solvent-solute attractive forces on hydrophobic correlations," J.
Chem. Phys. 73, 3434-3441 (1980). [LINK]
53.
Montgomery, J.A., Jr., S.L. Holmgren and D. Chandler, "Stochastic
molecular dynamics study of trans-gauche isomerization
processes in simple chain molecules," J.
Chem. Phys. 73, 3688-3694 (1980). [LINK]
54.
Rosenberg, R.O., B.J. Berne and D. Chandler, "Isomerization
dynamics in liquids by molecular dynamics," Chem. Phys.
Lett. 75, 162-168 (1980). [LINK]
55.
Stratt, R.M., S.L. Holmgren and D. Chandler, "Constrained
impulsive molecular dynamics," Mol. Phys. 42,
1233-1243 (1981).[PDF]
56.
Chandler, D. and P.G. Wolynes, "Exploiting
the isomorphism between Quantum theory and classical statistical
mechanics of polyatomic fluids," J. Chem. Phys. 74,
4078-4095 (1981). [LINK]
57.
Schweizer, K.S., R.M. Stratt, D. Chandler and P.G. Wolynes, "Convenient
and accurate discretized path integral methods for equilibrium
Quantum Mechanical calculations," J.
Chem. Phys. 75, 1347-1363 (1981). [LINK]
58.
Chandler, D. "Equilibrium theory of polyatomic
fluids," in Studies in Statistical Mechanics 8,
275-340 (J.L. Lebowitz and E.W. Montroll, eds.), North Holland,
Amsterdam (1982).[PDF]
59.
Thompson, M.J., K.S. Schweizer and D. Chandler, "Quantum
theory of polarization in liquids: Exact solution of the
mean spherical and related approximations," J. Chem. Phys. 76,
1128-1135 (1982). [LINK]
60.
Schweizer, K.S. and D. Chandler, "Vibrational
dephasing and frequency shifts of polyatomic molecules in
solution," J. Chem. Phys. 76, 2296-2314 (1982).
[LINK]
61.
Chandler, D., R. Silbey and B.M. Ladanyi, "New
and proper integral equations for site-site equilibrium correlations
in molecular fluids," Mol. Phys. 46, 1335-1345
(1982).[PDF]
62.
Chandler, D., G.S. Joslin and J.M. Deutch, "Calculation
of the dielectric constant of polyatomic fluids with the
interaction site formalism," Mol. Phys. 47,
871-879 (1982).[PDF]
63.
Chandler, D., K.S. Schweizer and P.G. Wolynes, " Electronic
states of a topologically disordered system: Exact solution
of the mean spherical model for liquids," Phys. Rev. Lett. 49,
1100-1103 (1982). [LINK]
64.
Schweizer, K.S. and D. Chandler, "Quantum
theory of solvent effects on electronic spectra; Predictions
of the exact solution of the mean spherical model," J.
Chem. Phys. 78, 4118-4125 (1983). [LINK]
65.
Chandler, D., J.D. Weeks and H.C. Andersen, "The Van
der Waals Picture of Liquids, Solids and Phase Transformations," Science 220,
787-794 (1983). Reprinted in “Frontiers
in the Chemical Sciences”, ed. by W. Spindel and
R. M. Simon, American Association for the Advancement of
Science, Washington, 1986.
[LINK]
66.
Chandler, D. and D.M. Richardson, "Theory
of orientational pair correlations in molecular fluids," J.
Phys. Chem. 87, 2060-2064 (1983). [LINK]
67.
Chandler, D., Y. Singh and D.M. Richardson, "Excess
electrons in simple fluids. I. General equilibrium theory
for classical hard sphere solvents," J. Chem. Phys. 81,
1975-1982 (1984). [LINK]
68.
Chandler, D. "Quantum theory of solvation," J.
Phys. Chem. 88, 3400-3407 (1984). [LINK]
69.
Richardson, D.M. and D. Chandler, "Calculation
of orientational pair correlation factors with the interaction
site formalism," J. Chem. Phys. 80, 4484-4487
(1984). [LINK]
70.
Nichols, A.L., III, D. Chandler, Y. Singh and D.M. Richardson, "Excess
electrons in simple fluids. II. Numerical results for hard
sphere solvents," J. Chem.
Phys. 81, 5109-5116 (1984). [LINK]
71.
Carmeli, B. and D. Chandler, "Effective
Adiabatic approximation for two level system coupled to a
bath," J. Chem. Phys. 82, 3400-3404 (1985).
[LINK]
72.
Sprik, M., M.L. Klein and D. Chandler, "Staging:
A sampling technique for the Monte Carlo evaluation of path
integrals," Phys. Rev. B 31, 4234-4244 (1985).
[LINK]
73.
Chandler, D., BOOK REVIEW "The liquid state," Science 228,
1191-1192 (1985). [LINK]
74.
Singer, S.J. and D. Chandler, "Free energy
functions in the extended RISM approximations," Mol. Phys. 55,
621-625 (1985).[PDF]
75.
Sprik, M., M.L. Klein and D. Chandler, "Computer
simulation of a quantum particle in a quenched disordered
system: Direct observation of Lifshitz traps," Phys. Rev. B. 32,
545-547 (1985). [LINK]
76.
Sprik, M., M.L. Klein and D. Chandler, "Simulation
of an excess electron in a hard sphere fluid," J. Chem.
Phys. 83, 3042-3049 (1985). [LINK]
77.
Nichols, A.L., III and D. Chandler, "Excess
electrons in simple fluids. III. Role of solvent polarization," J.
Chem. Phys. 84, 398-403 (1986). [LINK]
78.
Chandler, D., "Roles of classical dynamics
and quantum dynamics on activated processes occurring in
liquids," J. Stat. Phys. 42, 49-67 (1986).
[LINK]
79.
Pratt, L.R. and D. Chandler, "Theoretical
and computational studies of hydrophobic interactions," Methods
in Enzymology 127, 48-63 (1986).[PDF]
80.
Allinger, K., B. Carmeli and D. Chandler, "Nongaussian
influence functional for quantum systems," J. Chem. Phys. 84,
1724-1731 (1986). [LINK]
81.
Singer, S.J., R.A. Kuharski and D. Chandler, "RISM
calculation of the activation barrier for isomerization of
solvated cyclohexane," J. Phys. Chem. 90, 6015-6017
(1986). [LINK]
82.
Chandler, D., J.D. McCoy and S.J. Singer, "Density
functional theory of nonuniform polyatomic systems. I. General
formulation," J. Chem. Phys. 85, 5971-5976
(1986). [LINK]
83.
Chandler, D., J.D. McCoy and S.J. Singer, "Density
functional theory of nonuniform polyatomic systems. II. Rational
closures for integral equations," J. Chem. Phys. 85,
5977-5982 (1986). [LINK]
84.
Kuharski, R.A. and D. Chandler, "Solvation
of multiply charged ions: Predictions using the reference
interaction site method with hypernetted chain closure," J.
Phys. Chem. 91, 2978-2981 (1987). [LINK]
85.
Chandler, D., "Comment on 'A new rism integral
equation for solvent polymers'," Chem. Phys. Lett. 140,
108-110 (1987). [LINK]
86.
Laria, D. and D. Chandler, "Comparative
Study of Theory and Simulation Calculations for Excess Electrons
in Simple Fluids," J. Chem. Phys. 87, 4088-4092
(1987). [LINK]
87.
Ding, K., D. Chandler, S.J. Smithline and A.D.J. Haymet, "Density-functional
theory for the freezing of water," Phys. Rev. Lett. 59,
1698-1701 (1987). [LINK]
88.
McCoy, J.D., S. Singer and D. Chandler, "A
density functional treatment of the hard dumbbell freezing
transition," J. Chem. Phys. 87, 4853-4858 (1987).
[LINK]
89.
Nichols, A.L., III and D. Chandler, "Excess
electrons in simple fluids. IV. Real time behavior," J.
Chem. Phys. 87, 6671-6681 (1987). [LINK]
90.
Chandler, D., BOOK, Introduction to Modern Statistical
Mechanics, (Oxford U. Press, New York, 1987), 274
pages. Translated and printed in Japanese (1990). Translated
into Italian by F.Agostini, S. Bonella, S. Caprara and
G. Ciccotti and printed in Italian (Edizione Nuova Cultura,
Roma, 2009). [LINK]
91.
Wu, D, B. Carmeli and D. Chandler, "Comments
on a model influence functional for quantum systems," J.
Chem. Phys. 88, 2861-2862 (1988). [LINK]
92.
Kuharski, R.A., D. Chandler, J.A. Montgomery, Jr., F. Rabii
and S.J. Singer, "Stochastic molecular dynamics
study of cyclohexane isomerization," J. Phys. Chem. 92,
3261-3267 (1988). [LINK]
93.
Carmeli, B. and D. Chandler, "Dynamics
with the effective Adiabatic theory: The Bloch equations," J.
Chem. Phys. 89, 452-458 (1988). [LINK]
94.
Kuharski, R.A., J.S. Bader, D. Chandler, M. Sprik, M.L.
Klein and R.W. Impey, "Molecular model for
aqueous Ferrous-Ferric electron transfer," J. Chem. Phys. 89,
3248-3257 (1988). [LINK]
95.
Ichiye, T. and D. Chandler, "Hypernetted
chain closure reference interaction site method theory of
structure and thermodynamics for Alkanes in water," J.
Phys. Chem. 92, 5257-5261 (1988). [LINK]
96.
Chandler, D., "Field theoretic models of
liquids," in The Liquid State and Its Electrical Properties,
ed. by E.E. Kunhardt, L.G. Christophorou and L.H. Luessen
(Plenum Publishing Corp., 1988), p.1-13.[PDF]
97.
Chandler, D., "Geometrical perspectives
of a solvated electron,"in The Liquid State and Its Electrical
Properties, ed. by E.E. Kunhardt, L.G. Christophorou
and L.H. Luessen (Plenum Publishing Corp., 1988), p. 173-177.[PDF]
98.
Chandler, D. and R.A. Kuharski, "Two simulation
studies of chemical dynamics in liquids," Faraday Discuss.
Chem. Soc. 85, 329-339 (1988). [LINK]
99.Wu,
D. and D. Chandler, BOOK, Solution Manual for Introduction
to Modern Statistical Mechanics (Oxford U. Press,
NY, 1988), 91 pages. Translated into Italian by F.Agostini,
S. Bonella, S. Caprara and G. Ciccotti and printed in Italian
(Edizione Nuova Cultura, Roma, 2009). [LINK]
100.
Bader, J.S. and D. Chandler, "Computer
simulation of photochemically induced electron transfer," Chem.
Phys. Lett. 157, 501-504 (1989). [LINK]
101.
Chandler, D., "Computer simulation of
electron transfer," Chemica Scripta 29A, 61-62
(1989).[PDF]
102.
Voth, G A. , D. Chandler and W.H. Miller, "Time
correlation function and path integral analysis of quantum
rate constants," J. Phys. Chem. 93, 7009-7015
(1989). [LINK]
103.
Voth, G.A., D. Chandler and W.H. Miller, "Rigorous
formulation of quantum transition state theory and its dynamical
corrections," J. Chem. Phys. 91, 7749-7760
(1989). [LINK]
104.
Mak, C.H. and D. Chandler, "Solving
the sign problem in quantum Monte Carlo dynamics," Physical
Rev. A 41, 5709-5712 (1990). [LINK]
105.
Bader, J.S., R.A. Kuharski and D. Chandler, "Role
of nuclear tunneling in aqueous Ferrous-Ferric electron transfer," J.
Chem. Phys. 93, 230-236 (1990). [LINK]
106.
Voth, G.A., D. Chandler and W.H. Miller, "A
new perspective on quantum mechanical transition state theory," in Quantum
Simulations of Condensed Matter Phenomena, eds. J.D.
Doll and J.E. Gubernatis (World Scientific Press, 1990),
p. 391-400.[PDF]
107.
Hsu, D and D. Chandler, "Reference interaction
site model polaron theory of electron mobility in fluids," J.
Chem. Phys. 93, 5075-5083
(1990). [LINK]
108.
Chandler, D., "Liquid-phase chemical reactions,
the pathways for important rare events," J. Phys.: Condens.
Matter 2, SA9-SA13 (1990). [LINK]
109.
Wilson, M.A. and D. Chandler, "Molecular
dynamics study of Cyclohexane interconversion," Chem.
Phys. 149, 11-20 (1990). [LINK]
110.
Chandler, D., "Theory of quantum processes
in liquids," in Les Houches 51, Part 1, Liquids Freezing
and Glass Transition, ed. by D. Levesque, J.P. Hansen and
J. Zinn-Justin [Elsevier Science Publishers, B.V. (North
Holland) 1991], p. 193-285.[PDF]
111.
Mak, C.H. and D. Chandler, "Coherent-incoherent
transition and relaxation in condensed-phase tunneling systems," Phys.
Rev. A 44, 2352-2369 (1991). [LINK]
112.
Marchi, M. and D. Chandler, "Path integral
calculation of the tunnel splitting in aqueous Ferrous-Ferric
electron transfer," J. Chem. Phys. 95, 889-894
(1991). [LINK]
113.
Leung, K. and D. Chandler, "Theory of
percolation in fluids of long molecules," J. Stat. Phys. 63,
837-856 (1991). [LINK]
114.
Laria, D., D. Wu and D. Chandler, "Reference
interaction site model polaron theory of the hydrated electron," J.
Chem. Phys. 95, 4444-4453 (1991). [LINK]
115.
Chandler, D., "RISM equations for fluids
in quenched amorphous materials," J. Phys.: Condens. Matter 3,
F1-F8 (1991).[PDF]
116.
Wu, D., K. Hui and D. Chandler, "Monte
Carlo study of polymers in equilibrium with random obstacles," J.
Chem. Phys. 96, 835-841 (1992). [LINK]
117.
Gehlen, J.N., D. Chandler, H.J. Kim and J.T. Hynes, "Free
energies of electron transfer," J. Phys.
Chem. 96, 1748-1753 (1992). [LINK]
118.
Wu, D., D. Chandler and B. Smit, "Electrostatic
analogy for surfactant assemblies," J. Phys. Chem. 96,
4077-4083 (1992). [LINK]
119.
Bader, J.S. and D. Chandler, "Computer
simulation study of the mean forces between Ferrous and Ferric
ions in water," J. Phys. Chem. 96, 6423-6427
(1992). [LINK]
120.
Gehlen, J.N. and D. Chandler, "Quantum
theory for free energies of electron transfer," J. Chem.
Phys. 97, 4958-4963 (1992). [LINK]
121.
Takasu, M. and D. Chandler, "A study of
electron transfer using a three-level system coupled to an
ohmic bath," in Proceedings of the Workshop of Harmonic
Oscillators, NASA Publication 3197, 365-370 (1992).[PDF]
122.
Takasu, M. and D. Chandler, "Numerical
studies of electron transfer," in Computer-Aided Innovation
of New Materials II, ed. by M. Doyama, J. Kihira, M.
Tanaka and R. Yamamoto [Elsevier Science Publishers, B.V.
(Amsterdam) 1993], p. 375-378.[PDF]
123.
Kurtovic, Z., M. Marchi and D. Chandler, "Umbrella
sampling molecular dynamics study of the dielectric constant
of water," Mol. Phys. 78, 1155-1165 (1993).
[LINK]
124.
Luzar, A. and D. Chandler, "Structure
and hydrogen bond dynamics of water-dimethyl sulfoxide mixtures
by computer simulations," J. Chem. Phys. 98,
8160-8173 (1993). [LINK]
125.
Marchi, M., J.N. Gehlen, D. Chandler and M. Newton, "Diabatic
surfaces and the pathway for primary electron transfer
in a photosynthetic reaction center," J.
Am. Chem. Soc. 115, 4178-4190 (1993). [LINK]
126.
Luzar, A., A.K. Soper and D. Chandler, "Combined
neutron diffraction and computer simulation study of liquid
dimethyl sulphoxide," J. Chem. Phys. 99, 6836-6847
(1993). [LINK]
127.
Chandler, D., "Gaussian field model of
fluids with an application to polymeric fluids," Phys.
Rev. E 48, 2898-2905 (1993). [LINK]
128.
Chandler, D., "Boltzmann's legacy in condensed
matter theory: Ideas from van der Waals to Feynman," in Proceedings
of the International Symposium on Ludwig Boltzmann (Rome,
February 9-11, 1989), ed. by G. Battimelli, M. G. Ianniello
and O. Kresten [
sterreichische
Akademie Der Wissenschaften (Austria), 1993], p. 215-228.[PDF]
129.
Chakraborty, A.K., D. Bratko and D. Chandler, "Diffusion
of ionic penetrants in charged disordered media," J. Chem.
Phys. 100, 1528-1541 (1994). [LINK]
130.
Gehlen, J.N., M. Marchi and D. Chandler, "Dynamics
affecting the primary charge transfer in photosynthesis," Science 263,
499-502 (1994). [LINK]
131.
Chandler, D., J.N. Gehlen and M. Marchi, "On
the mechanism of the primary charge transfer in photosynthesis," in AIP
Conference Proceedings 298, Ultrafast Reaction Dynamics and
Solvent Effects, (Royaumont, France, 1993), ed. by Y.
Gauduel and P.J. Rossky [American Institute of Physics, New
York,
1994], p. 50-58.[PDF]
132.
Leung, K. and D. Chandler, "Phase diagram
for excess electrons in simple fluids," Phys. Rev.
E 49, 2851-2865 (1994). [LINK]
133.
Deem, M.W. and D. Chandler, "Charge frustrated
model of bicontinuous phases," Phys. Rev. E 49,
4268-4275 (1994). [LINK]
134.
Deem, M.W. and D. Chandler, "Formation
of interfaces in bicontinuous phases," Phys. Rev.
E 49, 4276-4285 (1994). [LINK]
135.
Xu, H., J.-P. Hansen and D. Chandler, "Density
functional theory and freezing of an ion-electron plasma," Europhys.
Lett. 26, 419-424 (1994). [LINK]
136.
Luzar, A. and D. Chandler, "Application
of the reactive flux formalism to study water hydrogen bond
dynamics," in Hydrogen Bond Networks, ed. by M.-C.
Bellissent-Funel and J. C. Dore [Kluwer Academic Publishers,
Dordrecht, 1994], p. 239-246.[PDF]
137.
Deem, M. W. and D. Chandler, "Classical
diffusion in strong random media," J. Stat. Phys. 76, 911-927
(1994). [LINK]
138.
Chandler, D. and K. Leung, "Excess electrons
in liquids: Geometrical perspectives," Annu. Rev. Phys.
Chem. 45, 557-591 (1994). [LINK]
139.
Rejto, P.A. and D. Chandler, "Energy flow
during isomerization reactions in liquids," J. Phys. Chem. 98, 12310-12314
(1994). [LINK]
140.
Leung, K. and D. Chandler, "Statistics
of simple chains in a sea of blockers," J. Chem.
Phys. 102, 1405-1415 (1995). [LINK]
141.
Rejto, P.A., E. Bindewald and D. Chandler, "Visualization
of fast energy flow and solvent caging in unimolecular dynamics," Nature 375 129-131
(1995). [LINK]
142.
Woo, H.-J., C. Carraro and D. Chandler, "Quantitative
molecular interpretation of mesoscopic correlations in bicontinuous
microemulsions," Phys. Rev. E 52, 6497-6507
(1995). [LINK]
143.
Luzar, A. and D. Chandler, "Hydrogen-bond
kinetics in liquid water." Nature 379, 55-57
(1996). [LINK]
144.
Woo, H.-J., C. Carraro and D. Chandler, "Quantitative
molecular interpretation of curvature elasticity of saturated
surfactant monolayers," Phys. Rev. E 53, R41-R44
(1996). [LINK]
145.
Luzar, A. and D. Chandler, "Effect of
environment on hydrogen bond dynamics in liquid water," Phys.
Rev. Lett. 76, 928-931 (1996). [LINK]
146.
Song, X., D. Chandler and R.A. Marcus, "Gaussian
field model of dielectric solvation dynamics," J. Phys.
Chem. 100, 11954-11959 (1996). [LINK]
147.
Chandler, D., "Charge frustration, bicontinuity
and interfaces," STATPHYS 19, 167-177
(1996).[PDF]
148.
Woo, H.-J., C. Carraro and D. Chandler, "Assembly
of extended interfaces and micelles: Charge frustrated models
of amphiphilic mixtures," Faraday Discuss. Chem.
Soc. 104, 183-191 (1996). [LINK]
149.
Crooks, G., and D. Chandler, "Gaussian
statistics of the hard sphere fluid," Phys. Rev. E 56,
4217-4221 (1997). [LINK]
150.
Dellago, C., P. Bolhuis, F. Csajka, and D. Chandler, "Transition
path sampling and the calculation of rate constants," J.
Chem. Phys . 108, 1964-1977
(1998). [LINK]
151.
Song, X. and D. Chandler, " Dielectric
solvation of molecules of arbitrary shape and charge distribution," J.
Chem. Phys. 108, 2594-2600 (1998). [LINK]
152.
Dellago, C., P. Bolhuis, and D. Chandler, "Efficient
transition path sampling: Application to Lennard-Jones cluster
rearrangements," J. Chem Phys. 108, 9236-9245
(1998). [LINK]
153.
Chandler, D. 1998. "Chapter
1 -- Barrier crossings: classical theory of rare but important
events" In Computer Simulation of Rare Events and
Dynamics of Classical and Quantum Condensed-Phase Systems
-- Classical and Quantum Dynamics in Condensed Phase Simulations,
ed. B.J. Berne, G. Ciccotti and D.F. Coker, pp. 3-23. Singapore:
World Sci. [PDF]
154.
Chandler, D. 1998. "Chapter 2 --
Electron transfer in water and other polar environments, how it happens" In Computer
Simulation of Rare Events and Dynamics of Classical and Quantum Condensed-Phase
Systems -- Classical and Quantum Dynamics in Condensed Phase Simulations,
ed. by B.J. Berne, G. Ciccotti and D.F. Coker, pp. 25-49. Singapore: World
Sci. [PDF]
155.
Chandler, D. 1998. "Chapter 3 --
Finding transition pathways: throwing ropes over rough mountain passes, in
the dark" In Computer Simulation of Rare Events and Dynamics of Classical
and Quantum Condensed-Phase Systems -- Classical and Quantum Dynamics in
Condensed Phase Simulations, ed. by B.J. Berne, G. Ciccotti and D.F.
Coker, pp. 51-66. Singapore: World Sci. [PDF]
156.
Csajka, F. and D. Chandler, "Transition
pathways in a many-body system: Application to hydrogen-bond
breaking in water," J. Chem. Phys. 109, 1125-1133
(1998). [LINK]
157.
Lum, K. and D. Chandler, "Phase diagram
and free energies of vapor films and tubes for a confined
fluid," International Journal of Thermophysics 19,
845-855 (1998). [LINK]
158.
Bolhuis, P., C. Dellago and D. Chandler, "Sampling
ensembles of deterministic transition pathways," Faraday
Discussions 110, 421-436 (1998). [LINK]
159.
Lum, K., D. Chandler and J. D. Weeks, "Hydrophobicity
at small and large length scales," J. Phys. Chem. B 103,
4570-4577 (1999). [LINK]
160.
Geissler, P., C. Dellago and D. Chandler, "Chemical
dynamics of the protonated water trimer," Phys. Chem.
Chem. Phys. 1, 1317-1322 (1999). [LINK]
161.
Dellago, C., P. Bolhuis and D. Chandler, "On
the calculation of reaction rate constants in the transition
path ensemble," J. Chem. Phys. 110, 6617-6625
(1999). [LINK]
162.
Wang, H., X. Song, D. Chandler, and W.H. Miller, "Semiclassical
study of electronically nonadiabatic dynamics in the condensed-phase:
Spin-boson problem with
Debye spectral density," J. Chem. Phys. 110,
4828-4840 (1999). [LINK]
163.
Geissler, P. L., Dellago, C. and D. Chandler, "Kinetic
pathways of ion pair dissociation in water," J. Phys.
Chem. B 103, 3706-3710 (1999). [LINK]
164.
Huang, D. M. and D. Chandler, "Cavity
formation and the drying transition in a Lennard-Jones fluid," Phys.
Rev. E 61, 1501-1506 (2000). [LINK]
165.
Bolhuis, P. G., C. Dellago, P.P. Geissler, and D. Chandler, "Transition
path sampling: throwing ropes over mountains in the dark,"J.
Phys. Condens. Matter, 12,
A147-A152 (2000). [LINK]
166.
Geissler, P.L., C. Dellago, D. Chandler, J. Hutter and
M. Parrinello, "Ab initio analysis of
proton transfer dynamics in (H2O)3H+,"Chem.
Phys. Lett.,321, 225-230 (2000). [LINK]
167.
Bolhuis, P.G., C. Dellago and D. Chandler, "Reaction
coordinates of biomolecular isomerization,"Proc.
Natl Acad. Sci.USA 97, 5877-5882
(2000). [LINK]
168.
Huang, D. and D. Chandler, "Temperature
and length scale dependence of hydrophobic effects and their
possible implications for protein folding,"Proc.
Natl Acad. Sci.USA 97, 8324-8327
(2000). [LINK]
169.
Song, X. and D. Chandler, "Dielectric
response of a polarizable system with quenched disorder," Phys.
Rev. E 62, 7949-7956 (2000). [LINK]
170.
Yu, Z.G., X. Song and D. Chandler, "Polarizabity
in dielectric materials with quenched disorder," Phys.
Rev. E 62, 4698-4701 (2000). [LINK]
171.
Geissler, P.L. and D. Chandler, "Importance
sampling and theory of nonequilibrium solvation dynamics
in water," J. Chem. Phys. 113, 9759-9765 (2000)
. [LINK]
172.
Bolhuis, P. G. and D. Chandler, "Transition
path sampling of cavitation between molecular scale solvophobic
surfaces," J. Chem. Phys. 113, 8154-8160
(2000). [LINK]
173.
Marti, J., F. Csajka and D. Chandler, "Stochastic
transition pathways in the aqueous sodium chloride dissociation
process," Chem. Phys. Lett. 328, 169-176 (2000).
[LINK]
174.
Geissler, P.L., C. Dellago, D. Chandler, J. Hutter and
M. Parrinello, "Autoionization in liquid water", Science 291,
2121-2124 (2001). [PDF] Supplementary
Information. [LINK]
175.
Laria, D., J. Rodriguez, C. Dellago and D. Chandler, "Dynamical
aspects of isomerization and melting transition in [H2O]8," J.
Phys. Chem. A 105,
2646-2651 (2001). [LINK]
176.
Crooks, G.E. and D. Chandler, "Efficient
transition path sampling for nonequilibirum stochastic dynamics," Phys.
Rev. E 64, 026109.1- 4 (2001). [LINK]
177.
Huang, D.M., P. L. Geissler and D. Chandler, "Scaling
of hydrophobic free energies," J. Phys. Chem. B 105,
6704-6709 (2001). [LINK]
178.
TenWolde, P.R., S.X. Sun, and D. Chandler, "Model
of a fluid at small and large length scales and the hydrophobic
effect," Phys. Rev E 65, 011201.1-9
(2001). [LINK]
179.
Huang, D.M. and D. Chandler, "The hydrophobic
effect and the influence of solute-solvent attractions," J.
Phys. Chem. B 106, 2047-2053 (2002). [LINK]
180.Bolhuis,
P. G., D. Chandler, C. Dellago, and P. Geissler, "Transition
Path Sampling: Throwing ropes over mountain passes, in
the dark," Annu. Rev. Phys. Chem. 59,
291-318 (2002). [LINK]
181.
TenWolde, P. R and D. Chandler, "Drying
induced hydrophobic polymer collapse," Proc. Natl
Acad. Sci. USA 99, 6539-6543
(2002). [LINK]
182.
Garrahan, J.P. and D. Chandler, "Geometrical
explanation and scaling of dynamical heterogeneities in glass
forming systems," Phys. Rev. Lett. 89, 035704.1-4
(2002). [LINK]
183.
Chandler, D., "Two faces of water," Nature 417,
491 (2002). [LINK]
184.
Dellago, C. and D. Chandler, "Bridging
the time scale gap with Transition Path Sampling" Part
VIII of Bridging Time Scales: Molecular Simulations for
the Next Decade,P. Nielaba, M. Mareschal, and G. Ciccotti, Eds., Lecture
Notes in Physics (LNP), 605, 321-333(2002).
[LINK]
185.
Maibaum, L. and D. Chandler, "A coarse-grained
model of water confined in a hydrophobic tube," J. Phys.
Chem. B 107, 1189-1193 (2003). [LINK]
186.
Antes, I., D. Chandler, H. Wang and G. Oster, "The unbinding
of ATP from F1-ATPase," Biophys.
J. 85, 695–706
(2003). [LINK]
187.
Dellago, C., P. Geissler, D. Chandler, J. Hutter and M.
Parrinello, "Comment on Dissociation of
water under pressure,"Phys. Rev. Lett. 89,
199601.1 (2002). [LINK]
188.
McCormick, T. and D. Chandler, "Grid-flux
method for learning the solvent contribution to the mechanisms
of reactions," J. Phys. Chem. B 107, 2796-2801
(2003). [LINK]
189.
Garrahan, J.P and D. Chandler, "Coarse
grained microscopic model for glass formers, Proc. Natl
Acad. Sci. USA 100, 9710-9714
(2003). [LINK]
- 190. Hagan ,
M.F., Dinner , A.R., Chandler , D. and A.K.Chakraborty, "Atomistic
understanding of kinetic pathways for single base-pair binding
and unbinding in DNA," Proc. Natl
Acad. Sci. USA 100, 13922-13927
(2003). [LINK]
191. Sun, S., A. Dinner, D. Chandler and G. Oster. "Elastic
energy storage in beta-sheets with application to F1
ATPase," Eur.
Biophys. J. 32, 676-683 (2003). [LINK]
192. Liao, J., S. Sun, D. Chandler and G. Oster. "The
conformational states of MgATP in water," Eur.
Biophys. J. 33,
29–37 (2003). [LINK]
