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  • Currently displaying 26361 - 26380 of 30147 publications
Author(s)
Publication title
Journal Name
Publication year
Rules for developing basis sets for the accurate computation of hyperpolarizabilities: Applications to He, H2, Be, Ne, F−, and HF
MG Papadopoulos, J Waite, AD Buckingham
The Journal of Chemical Physics
(1995)
102
Influence of surface topology and electrostatic potential on water/electrode systems
JI Siepmann, M Sprik
The Journal of Chemical Physics
(1995)
102
LIGAND TRANSFER FROM A TRIS(IMINO)STANNATE ANION - SYNTHESES AND STRUCTURES OF [(CU[MU-N=C(BU(T))PH])(4)]CENTER-DOT-THF (THF=TETRAHYDROFURAN) AND [(CU[MU-N=C(BU(T))PH])(4)(PPH(3))(2)]CENTER-DOT-6THF
MK Davies, PR Raithby, M-A Rennie, A Steiner, DS Wright
J. Chem. Soc., Dalton Trans.
(1995)
Step-wise nucleophilic substitution of bis(cyclopentadienyl)-tin(II); synthesis and structural characterisation of [{Sn(η3-C5H5)[µ-NC(NMe2)2]}2] and [{Sn[S(CH2)3SC(R)][µ-NC(NMe2)2]}2](R = H or SiMe3)
AJ Edwards, MA Paver, PR Raithby, M-A Rennie, CA Russell, DS Wright
J. Chem. Soc., Dalton Trans.
(1995)
Synthesis of β-dimorphecolic acid exploiting highly stereoselective reduction of a side-chain carbonyl group in a π-allyltricarbonyliron lactone complex
SV Ley, G Meek
Journal of the Chemical Society Chemical Communications
(1995)
A mixed organozinc–diorganophosphide complex containing protic phosphine ligands bonded to zinc
MG Davidson, AJ Edwards, MA Paver, PR Raithby, CA Russell, A Steiner, KL Verhorevoort, DS Wright
Chemical Communications
(1995)
Characterisation of al-pillared acid activated clay catalysts
J Bovey, W Jones
Journal of Materials Chemistry
(1995)
5
The Reaction between CN and O2: a Prototypical Radical-Radical Reaction?
IWM Smith
(1995)
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
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
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
DJ Wales, AJ Stone, PLA Popelier
Chem. Phys. Lett.
(1995)
240
Molecular dynamics techniques for complex molecular systems
M Sprik
OBSERVATION, PREDICTION AND SIMULATION OF PHASE TRANSITIONS IN COMPLEX FLUIDS
(1995)
460
Senile neurodegeneration: Pathogenic role of microglia-derived free radicals
PH EVANS, E PETERHANS, T BURGE, J KLINOWSKI, E YANO
OXIDATIVE STRESS AND AGING
(1995)
Closed-Form Summation of Some Trigonometric Series
D Cvijovic, J Klinowski
Mathematics of Computation
(1995)
64
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
JPK Doye, DJ Wales, RS Berry
J. Chem. Phys.
(1995)
103
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
ANGEW CHEM INT EDIT
(1995)
34
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
JK Gregory, DJ Wales, DC Clary
J. Chem. Phys.
(1995)
102
Model hard sphere systems under flow, a novel experimental approach
ABD BROWN, RC BALL, SM CLARKE, J MELROSE, AR RENNIE
TRENDS IN COLLOID AND INTERFACE SCIENCE IX
(1995)
98
The case for content integrity in electronic chemistry journals: The CLIC project
D James, BJ Whitaker, C Hildyard, HS Rzepa, O Casher, JM Goodman, D Riddick, P Murray‐Rust
New Review of Information Networking
(1995)
1