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Currently displaying 25921 - 25940 of 29644 publications

REACTION-PATH ZERO-POINT ENERGY FROM DIFFUSION MONTE- CARLO CALCULATIONS

JK Gregory, DJ Wales, DC Clary

J. Chem. Phys.

(1995)

102

1592-1596

Conference reports fourth liblice conference on the statistical mechanics of liquids

P Cummings, D Frenkel, KE Gubbins, I Nezbeda, WR Smith

Molecular Simulation

(1995)

(doi: 10.1080/08927029508022329)

“Protein Structures in Solution Viewed by NMR”, in Making the Most of Your Model

LJ Smith, CM Dobson

(1995)

The adsorption of methanol on NiO /Ni{110}

HE Sanders, P Gardner, DA King

Chemical Physics Letters

(1994)

231

481

(doi: 10.1016/0009-2614(94)01270-9)

PRESSURE AND TEMPERATURE-DEPENDENCE OF THE RATE CONSTANTS FOR THE ASSOCIATION REACTION OF OH RADICALS WITH NO BETWEEN 301-K AND 23-K

P Sharkey, IR Sims, IWM Smith, P Bocherel, BR Rowe

Journal of the Chemical Society, Faraday Transactions

(1994)

3609

(doi: 10.1039/ft9949003609)

Conformation of GroEL-bound alpha-lactalbumin probed by mass spectrometry.

CV Robinson, M Gross, SJ Eyles, JJ Ewbank, M Mayhew, FU Hartl, CM Dobson, SE Radford

Nature

(1994)

372

646

(doi: 10.1038/372646a0)

Anti aldol reactions of lactate-derived ketones: Application to the total synthesis of (-)-ACRL toxin IIIB

I PATERSON, DJ WALLACE

Tetrahedron Letters

(1994)

9477

(doi: 10.1016/s0040-4039(00)78576-5)

Gradient corrections in density functional theory calculations for surfaces: Co on Pd{110}

P Hu, DA King, S Crampin, M-H Lee, MC Payne

Chemical Physics Letters

(1994)

230

501

(doi: 10.1016/0009-2614(94)01184-2)

Bioinformatics and drug discovery

P Murray-Rust

Current Opinion in Biotechnology

(1994)

648

(doi: 10.1016/0958-1669(94)90089-2)

Isostructural solid-solid transition in crystalline systems with short-ranged interaction.

P Bolhuis, M Hagen, D Frenkel

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics

(1994)

4880

(doi: 10.1103/PhysRevE.50.4880)

A new class of photochromic compounds exemplified by E-5-dicyanomethylene-4-(dialkyl and dicycloalkyl)methylene[1-(2,5-methyl-3-furyl) and (2-methyl-5-phenyl-3-thienyl)ethylidene]tetrahydrofuran-2-ones

HG Heller, DS Hughes, MB Hursthouse, KVS Kon

Journal of the Chemical Society Chemical Communications

(1994)

2713

(doi: 10.1039/c39940002713)

Gradient-line reaction paths for 1,2, H shift reactions in phosphinonitrene and formaldehyde, and H 2 elimination from formaldehyde

RM Minyaev, DJ Wales

Journal of the Chemical Society Faraday Transactions

(1994)

1839

(doi: 10.1039/ft9949001839)

AL-27 AND SI-29 SOLID-STATE NMR-STUDIES OF DEALUMINATED MORDENITE