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  • Currently displaying 27041 - 27060 of 30835 publications
Author(s)
Publication title
Journal Name
Publication year
On the absolute stereochemistries of homochiral cycloadducts derived from oxygenated aldoximes and divinyl sulfone via azaprotio cyclotransfer.
M Frederickson, R Grigg, Z Rankovic, M Thornton-Pett, J Redpath, R Crossley
Tetrahedron
(1995)
51
NMR studies of hydrofluorocarbon-zeolite interactions
CP Grey, DR Corbin
Studies in Surface Science and Catalysis
(1995)
98
THE EFFECT OF THE RANGE OF THE POTENTIAL ON THE STRUCTURES OF CLUSTERS
JPK Doye, DJ Wales, RS Berry
J. Chem. Phys.
(1995)
103
REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS
JK Gregory, DJ Wales, DC Clary
J. Chem. Phys.
(1995)
102
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
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
Octatetrayne-linked porphyrins: ‘stretched’ cyclic dimers and trimers with very spacious cavities
HL Anderson, CJ Walter, A Vidal-Ferran, RA Hay, PA Lowden, JKM Sanders
J CHEM SOC PERK T 1
(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
POTENTIAL-ENERGY SURFACES OF VAN-DER-WAALS COMPLEXES OF WATER AND HYDROGEN HALIDES MODELED USING DISTRIBUTED MULTIPOLES
DJ Wales, PLA Popelier, AJ Stone
J. Chem. Phys.
(1995)
102
POTENTIAL-ENERGY SURFACES OF SEVERAL VAN-DER-WAALS COMPLEXES MODELED USING DISTRIBUTED MULTIPOLES
DJ Wales, AJ Stone, PLA Popelier
Chem. Phys. Lett.
(1995)
240
Colloidal suspensions: Density functional theory at work
JP Hansen
OBSERVATION, PREDICTION AND SIMULATION OF PHASE TRANSITIONS IN COMPLEX FLUIDS
(1995)
460
Influence of surface topology and electrostatic potential on water/electrode systems
JI Siepmann, M Sprik
Journal of Chemical Physics
(1995)
102
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
The Reaction between CN and O2: a Prototypical Radical-Radical Reaction?
IWM Smith
(1995)
Synthesis of vinylsilanes by silyl-cupration of acetylenes using tert -butyldiphenylsilyl-cuprate reagents
A Barbero, P Cuadrado, I Fleming, AM González, FJ Pulido, A Sánchez
J CHEM SOC PERK T 1
(1995)
Diastereoselectivity in the preparation of β-silyl esters from αβ-unsaturated esters and amides attached to chiral auxiliaries
I Fleming, ND Kindon
Journal of the Chemical Society Perkin Transactions 1
(1995)
Atmospheric chemistry: Measurements, mechanisms and models - General discussion
S Ball, MNR Ashfold, G Hancock, R Zellner, AR Ravishankara, R Hernandez, IWM Smith, AM Wodtke, JA Pyle, PJ Crutzen, AF Tuck, YM Gershenzon, DC Clary, JMC Plane, JC Whitehead, IH Hillier, MJ Molina, H Herrmann, WB Brown, AJ Masters, DHV DosSantos, M Okumura, V Vaida, HK Roscoe, T Peter, K Carslaw
FARADAY DISCUSSIONS
(1995)
100
Atmospheric chemistry: Measurements, mechanisms and models - General discussion
P Davidovits, P Wiesen, MP vanAlbada, RA Cox, JMC Plane, MJ Pilling, IWM Smith, H Rieley, RP Tuckett, MRS McCoustra, PE Titcombe, H Herrmann, GV Buxton, R Atkinson, A Hudson, N Smith, SA Penkett, DJ Fish, PJ Crutzen, F Slemr, U Platt, V Vaida, P Borrell, HK Roscoe, DS McKenna
FARADAY DISCUSS
(1995)
100
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
General discussion
G Hancock, J Troe, S Stolte, Y He, J Pochert, M Quack, R Ranz, G Seyfang, AV Demianeko, R Walsh, JP Simons, T Rizzo, K MullerDethlefs, RE Miller, MI Lester, I Oref, DS Perry, AA Buchachenko, N Halberstadt, H Reisler, B Abel, IWM Smith, A Alexander, DC Clary, IM Mills, AJ Stace, CB Moore, BJ Whitaker, MS Child
FARADAY DISCUSSIONS
(1995)
102