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Currently displaying 22601 - 22620 of 30702 publications

Sectorization of a Lamellar polymer crystal studied by dynamic Monte Carlo simulations

W Hu, D Frenkel, VBF Mathot

Macromolecules

(2003)

549

(doi: 10.1021/ma0258531)

A computational and experimental search for polymorphs of parabanic acid - a salutary tale leading to the crystal structure of oxo-ureido-acetic acid methyl ester

TC Lewis, DA Tocher, GM Day, SL Price

CrystEngComm

(2003)

(doi: 10.1039/b211784c)

Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid:base complexes

N Shan, AD Bond, W Jones

New Journal of Chemistry

(2003)

365

(doi: 10.1039/b208686g)

Calculation of the melting point of NaCl by molecular simulation

J Anwar, D Frenkel, MG Noro

Journal of Chemical Physics

(2003)

118

728

(doi: 10.1063/1.1522375)

Vibrational relaxation of carbon monoxide (4 ≤ v ≤ 11) at 85 K

C Wittig, I Smith

IEEE Journal of Quantum Electronics

(2003)

196

(doi: 10.1109/JQE.1973.1077350)

Vibrational relaxation in potentially reactive collisions: Temperature and isotope effects

I Smith

IEEE Journal of Quantum Electronics

(2003)

696

(doi: 10.1109/JQE.1975.1068699)

RELAXATION OF HCL(UPSILON = 1) AND DCL(UPSILON = 1) BY CL AND O ATOMS

R Brown, G Glass, I Smith

IEEE Journal of Quantum Electronics

(2003)

695

(doi: 10.1109/JQE.1975.1068742)

Self-consistent determination of the transition state for protein folding: application to a fibronectin type III domain.

E Paci, J Clarke, A Steward, M Vendruscolo, M Karplus

Proceedings of the National Academy of Sciences

(2003)

100

394

(doi: 10.1073/pnas.232704999)

Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{1 1 1}

A Michaelides, M-L Bocquet, P Sautet, A Alavi, DA King

Chemical Physics Letters

(2003)

367

344

(doi: 10.1016/s0009-2614(02)01699-8)

A convenient method for the synthesis of dehydroquinic acid

C Le Sann, C Abell, AD Abell

Synthetic Communications

(2003)

527

(doi: 10.1081/SCC-120015805)

A tilt-dependent diffusional potential energy landscape: Benzyne on Ir {1 0 0}

S Yamagishi, SJ Jenkins, DA King

Chemical Physics Letters

(2003)

367

116

(doi: 10.1016/S0009-2614(02)01549-X)

Cutting edge approaches to drug design

A Bender

Drug Discovery Today Biosilico

(2003)

(doi: 10.1016/s1478-5382(03)02335-7)

Organo-functionalised arsine and stibine organometallics; syntheses and structural characterisations of 1,3-[(PhC C)(2)Sb](2)(CH2)(3), As(C CPh)(3), R2AsCH2AsR2 [R = Me3SiC C-, (Me3Si)(2)N- and 2-SPy] with pi-stacking in the latter

MA Paver, JS Joy, SJ Coles, MB Hursthouse, JE Davies

Polyhedron

(2003)

211

(doi: 10.1016/s0277-5387(02)01339-6)

Organo-functionalised arsine and stibine organometallics; syntheses and structural characterisations (see abstract)

MA Paver, JS Joy, SJ Coles, MB Hursthouse, JE Davies

Polyhedron

(2003)

211

(doi: 10.1016/S0277-5387(02)01339-6)

Rotational reorientation dynamics of nile blue A and oxazine 720 in protic solvents