共 145 条
[51]
ENERGY FUNCTIONS FOR PEPTIDES AND PROTEINS .1. DERIVATION OF A CONSISTENT FORCE-FIELD INCLUDING HYDROGEN-BOND FROM AMIDE CRYSTALS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974, 96 (17)
:5319-5327
HAGLER, AT
;
HULER, E
;
LIFSON, S
.
[52]
SPHERICAL HARMONIC EXPANSIONS OF THE ANGULAR PAIR CORRELATION-FUNCTION IN MOLECULAR FLUIDS
[J].
CHEMICAL PHYSICS LETTERS,
1980, 76 (03)
:583-588
HAILE, JM
;
GRAY, CG
.
[53]
AN EXTENDED RISM EQUATION FOR MOLECULAR POLAR FLUIDS
[J].
CHEMICAL PHYSICS LETTERS,
1981, 83 (02)
:329-334
HIRATA, F
;
ROSSKY, PJ
.
[54]
APPLICATION OF AN EXTENDED RISM EQUATION TO DIPOLAR AND QUADRUPOLAR FLUIDS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1982, 77 (01)
:509-520
HIRATA, F
;
PETTITT, BM
;
ROSSKY, PJ
.
[55]
LENNARD-JONES TRIPLE-POINT BULK AND SHEAR VISCOSITIES - GREEN-KUBO THEORY, HAMILTONIAN-MECHANICS, AND NON-EQUILIBRIUM MOLECULAR-DYNAMICS
[J].
PHYSICAL REVIEW A,
1980, 22 (04)
:1690-1697
HOOVER, WG
;
EVANS, DJ
;
HICKMAN, RB
;
LADD, AJC
;
ASHURST, WT
;
MORAN, B
.
[56]
STATISTICAL-MECHANICS OF SMALL CHAIN MOLECULES IN LIQUIDS .2. INTER-MOLECULAR PAIR CORRELATIONS FOR LIQUID NORMAL-BUTANE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978, 68 (09)
:4213-4217
HSU, CS
;
PRATT, LR
;
CHANDLER, D
.
[57]
RISM CALCULATION OF STRUCTURE OF LIQUID ACETONITRILE
[J].
MOLECULAR PHYSICS,
1978, 36 (01)
:215-224
HSU, CS
;
CHANDLER, D
.
[58]
HYDRATION AND MOBILITY OF IONS IN SOLUTION
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983, 87 (25)
:5071-5083
IMPEY, RW
;
MADDEN, PA
;
MCDONALD, IR
.
[59]
MOLECULAR-DYNAMICS STUDIES OF THE STRUCTURE OF WATER AT HIGH-TEMPERATURES AND DENSITY
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981, 74 (01)
:647-652
IMPEY, RW
;
KLEIN, ML
;
MCDONALD, IR
.
[60]
JANSCO G, 1984, CHEM PHYS, V85, P377