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  • Currently displaying 25861 - 25880 of 29607 publications
Author(s)
Publication title
Journal Name
Publication year
Implementation of Analytic Derivative Density Functional Theory codes on scalar and parallel architectures
DJ Tozer, ME Mura, RD Amos, NC Handy
E.C.C.C. 1 COMPUTATIONAL CHEMISTRY
(1995)
330
Long time tails in stress correlation functions
MHJ Hagen, CP Lowe, D Frenkel
25 YEARS OF NON-EQUILIBRIUM STATISTICAL MECHANICS
(1995)
445
Numerical techniques to study complex liquids
D Frenkel
OBSERVATION, PREDICTION AND SIMULATION OF PHASE TRANSITIONS IN COMPLEX FLUIDS
(1995)
460
“Protein Structures in Solution Viewed by NMR”, in Making the Most of Your Model
LJ Smith, CM Dobson
(1995)
Synthesis and structure of [Li(thf)(4)](2)(Ph(2)P)(10)Cd-4] containing a dianion with a Cd4P10 adamantanoid core
MA Beswick, PR Raithby, CA Russell, A Steiner, KL Verhorevoort, GN Ward, DS Wright
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(1995)
34
Colloidal suspensions: Density functional theory at work
JP Hansen
OBSERVATION, PREDICTION AND SIMULATION OF PHASE TRANSITIONS IN COMPLEX FLUIDS
(1995)
460
Infrared laser spectroscopy of short-lived atoms and molecules
PB Davies
INTRODUCTION TO LASER SPECTROSCOPY
(1995)
ASSOCIATION OF PROTEIN-FRAGMENTS THROUGH A 2ND-ORDER FOLDING REACTION - STRUCTURE OF THE ISOLATED FRAGMENTS AND EARLY EVENTS OF PROTEIN-FOLDING
GD GAV, J RUIZSANZ, B DAVIS, AR FERSHT
PROTEIN ENGINEERING
(1995)
8
The Reaction between CN and O2: a Prototypical Radical-Radical Reaction?
IWM Smith
(1995)
Pillaring of layered double hydroxides possessing variable layer charge with vanadium polyoxoanions
F KOOLI, V RIVES, MA ULIBARRI, W JONES
Materials Research Society Symposium Proceedings
(1995)
371
General discussion
M Jordan, G Schatz, J Troe, K Luther, G Lendvay, A Sanov, CR Bieler, C Capellos, H Reisler, CB Moore, IWM Smith, GW Flynn, WH Miller, I Oref, GG BalintKurti, KS Bradley, DC Clary, MS Child, JNL Connor, JT Hynes, R Schinke, S Stolte, DS Perry, M Quack, NJB Green, JP Simons, N Halberstadt, D Schwarzer, R Grice
FARADAY DISCUSSIONS
(1995)
102
Photoinduced effects and metastability in amorphous semiconductors and insulators
K Shimakawa, A Kolobov, SR Elliott
Advances in Physics
(1995)
44
Gas-Phase Reactions and Energy Transfer at Very Low Temperatures
IR Sims, IW Smith
Annu Rev Phys Chem
(1995)
46
Conference reports fourth liblice conference on the statistical mechanics of liquids
P Cummings, D Frenkel, KE Gubbins, I Nezbeda, WR Smith
Molecular Simulation
(1995)
15
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
JPK Doye, DJ Wales, RS Berry
J. Chem. Phys.
(1995)
103
Structural diversity in a family of synthetic oligoamides
AP Bisson, FJ Carver, CA Hunter, GS Lynch, NJ Osborn, DH Purvis, RJ Shannon, K Tse
(1995)
473
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
JK Gregory, DJ Wales, DC Clary
J. Chem. Phys.
(1995)
102
The stereochemistry of the S(E)2'' reaction of dienylmethylsilanes
I FLEMING, GR JONES, Y LANDAIS, CP LESLIE, IT MORGAN, S PEUKERT
PROGRESS IN ORGANOSILICON CHEMISTRY
(1995)
GRADIENT PATHS OF THE REACTIONS OF ELECTROPHILIC ADDITION OF HF TO ETHYLENE AND 1,2-H-SHIFT IN H2PN
RM Minyaev, DJ Wales
J. Struct. Chem.
(1995)
36
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
DJ Wales, AJ Stone, PLA Popelier
Chem. Phys. Lett.
(1995)
240