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- Currently displaying 25161 - 25180 of 29216 publications
Introduction to molecular dynamics methods
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
43
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
FEMTOCHEMISTRY
(1996)
578
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
Science
(1996)
271
925-929
Infrared laser spectrum of the Si2- anion in a silane plasma
Physical Review Letters
(1996)
76
596
(doi: 10.1103/PhysRevLett.76.596)
Path integrals and ab initio molecular dynamics
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
649
THEORETICAL-STUDY OF RAPID TOPOMERIZATION IN TETRACYCLO[4.4.4.4]-1- BORA-3,5-DIAZAPENTANE
Chem. Phys. Lett.
(1996)
259
173
Extraction of nitric oxide and nitrogen dioxide from an oxygen carrier using molecular sieve 5A.
Br J Anaesth
(1996)
77
534
(doi: 10.1093/bja/77.4.534)
THE STRUCTURE AND STABILITY OF ATOMIC LIQUIDS - FROM CLUSTERS TO BULK
Science
(1996)
271
484-487
ON POTENTIAL-ENERGY SURFACES AND RELAXATION TO THE GLOBAL MINIMUM
J. Chem. Phys.
(1996)
105
8428-8445
THE STRUCTURE OF $(C_60)_N$ CLUSTERS
Chem. Phys. Lett.
(1996)
262
167-174
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURE AND STABILITY OF SIMPLE LIQUIDS - FROM CLUSTERS TO BULK, FROM SODIUM TO C-60
J. Phys. B
(1996)
29
4859-4894
Non-Covalent Interactions Between Aromatic Molecules
(1996)
113
Cyclophane Hosts for Quinone Type Guests
(1996)
267
Can enzyme mimics compete with catalytic antibodies?
CHEMICAL SYNTHESIS
(1996)
320
419
Self-assembly of macrocyclic porphyrin oligomers (pg 2567, 1995)
CHEMICAL COMMUNICATIONS
(1996)
885
Rapid intramolecular and C-O cleavage reactions of a phosphate triester catalysed by a neighbouring hydroxyl group
RECUEIL DES TRAVAUX CHIMIQUES DES PAYS-BAS-JOURNAL OF THE ROYAL NETHERLANDS CHEMICAL SOCIETY
(1996)
115
56
Templated synthesis of enzyme mimics: How far can we go?
CHEMICAL SYNTHESIS
(1996)
320
277
A computational model for stereoselectivity in the boron-mediated aldol reactions of methyl ketones
(1996)
Kinetics at Ultra-Low Temperatures: Non-Arrhenius Behaviour and Applications to the Chemistry of Interstellar Clouds
(1996)
61
190
