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- Currently displaying 25561 - 25580 of 29680 publications
Density functional methods at finite temperature
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
573
Infrared laser spectrum of the Si2- anion in a silane plasma
Physical Review Letters
(1996)
76
596
(doi: 10.1103/PhysRevLett.76.596)
REARRANGEMENTS OF THE WATER TRIMER
Journal of the Chemical Society, Faraday Transactions
(1996)
92
2505-2517
THEORETICAL-STUDY OF THE WATER pentamer
J. Chem. Phys.
(1996)
105
6957
WHAT CAN CALCULATIONS EMPLOYING EMPIRICAL POTENTIALS TEACH US ABOUT BARE TRANSITION-METAL CLUSTERS
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
(1996)
611-623
Synthesis, characterization and formation mechanism of the mesoporous molecular sieve MCM-41
Tailor-made Silicon-Oxygen Compounds - from Molecules to Materials
(1996)
233
STRUCTURE, DYNAMICS, AND THERMODYNAMICS OF CLUSTERS - TALES FROM TOPOGRAPHIC POTENTIAL SURFACES
Science
(1996)
271
925-929
Projected temperature increases over southern Africa due to increasing levels of greenhouse gases and sulphate aerosols
S. Afr. J. Sci.
(1996)
92
524
Kinetics at Ultra-Low Temperatures: Non-Arrhenius Behaviour and Applications to the Chemistry of Interstellar Clouds
(1996)
61
190
THEORETICAL-STUDY OF RAPID TOPOMERIZATION IN TETRACYCLO[4.4.4.4]-1- BORA-3,5-DIAZAPENTANE
Chem. Phys. Lett.
(1996)
259
173
Stereoelectronic effects
(1996)
1
1
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
A Systematic Optimization Scheme for Configurational Bias Monte Carlo
Molecular Simulation
(1996)
17
41
(doi: 10.1080/08927029608024093)
Templated synthesis of enzyme mimics: How far can we go?
CHEMICAL SYNTHESIS
(1996)
320
277
Path integrals and ab initio molecular dynamics
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
649
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
