| Year |
Citation |
Score |
| 2012 |
Murrell JN. The origins and later developments of molecular orbital theory International Journal of Quantum Chemistry. 112: 2875-2879. DOI: 10.1002/Qua.23293 |
0.396 |
|
| 2006 |
Dunne LJ, Murrell JN, Manos G, Rekabi M. Exact matrix computation of the statistical mechanics of a cell model of hard sphere phase behaviour Chemical Physics Letters. 421: 47-51. DOI: 10.1016/J.Cplett.2006.01.032 |
0.301 |
|
| 2004 |
Dunne LJ, Murrell JN. Simple wavefunctions for dipositronium and the relationship between this species and the hydrogen molecule International Journal of Quantum Chemistry. 96: 512-517. DOI: 10.1002/Qua.10773 |
0.326 |
|
| 2002 |
Murrell JN, Wright TG, Danko Bosanac S. A search for bound levels of the van der waals molecules: H2(a3σu +), HeH(X2σ+), LiH(a3σ+) and LiHe(X2σ+) Journal of Molecular Structure: Theochem. 591: 1-9. DOI: 10.1016/S0166-1280(02)00205-1 |
0.421 |
|
| 2001 |
Dunne LJ, Murrell JN, Jemmer P. Analytical potential energy surface and quasi-classical dynamics for the reaction LiH(X,1Σ+)+H(2S) → Li(2S)+H2(X,1Σ+ g) Chemical Physics Letters. 336: 1-6. DOI: 10.1016/S0009-2614(01)00102-6 |
0.343 |
|
| 1999 |
Hazel C, Johnston RL, Murrell JN. Empirical potentials for modeling solids, surfaces, and clusters Journal of Solid State Chemistry. 145: 517-540. DOI: 10.1006/Jssc.1999.8200 |
0.356 |
|
| 1998 |
Liu X, Zhen Z, Cox H, Murrell JN. New potential-energy functions for Cu, Ag and Au solids and their applications to computer simulations on metallic surfaces Science in China, Series B: Chemistry. 41: 567-574. DOI: 10.1360/Yb1998-41-6-566 |
0.354 |
|
| 1998 |
Cox H, Liu X, Murrell JN. Modelling Cu, Ag and Au surfaces using empirical potentials Molecular Physics. 93: 921-924. DOI: 10.1080/002689798168619 |
0.362 |
|
| 1998 |
Murrell JN. Semi-empirical electronic structure methods Journal of Molecular Structure: Theochem. 424: 93-99. DOI: 10.1016/S0166-1280(97)00234-0 |
0.306 |
|
| 1998 |
Bosanac SD, Murrell JN. Unimolecular dissociation dynamics of helium cluster ions Chemical Physics Letters. 291: 64-70. DOI: 10.1016/S0009-2614(98)00560-0 |
0.311 |
|
| 1997 |
Cox H, Johnston RL, Murrell JN. Modelling of surface relaxation and melting of aluminium Surface Science. 373: 67-84. DOI: 10.1016/S0039-6028(96)01153-3 |
0.386 |
|
| 1996 |
Knowles PJ, Murrell JN. The structures and stabilities of helium cluster ions Molecular Physics. 87: 827-833. DOI: 10.1080/00268979600100551 |
0.337 |
|
| 1996 |
Hearn JE, Johnston RL, Leoni S, Murrell JN. Global potentials for calcium and strontium solids Journal of the Chemical Society - Faraday Transactions. 92: 425-432. DOI: 10.1039/Ft9969200425 |
0.408 |
|
| 1996 |
Cohen MJ, Murrell JN. An analytic function for the three-body potential of He3 Chemical Physics Letters. 260: 371-376. DOI: 10.1016/0009-2614(96)00914-1 |
0.397 |
|
| 1996 |
Danko Bosanac S, Murrell JN. Collision dynamics for small helium cluster ions Chemical Physics Letters. 254: 69-72. DOI: 10.1016/0009-2614(96)00229-1 |
0.387 |
|
| 1995 |
Knowles PJ, Murrell JN, Hodge EJ. An n-valued representation of Hen + potentials Molecular Physics. 85: 243-255. DOI: 10.1080/00268979500101081 |
0.383 |
|
| 1995 |
Knowles PJ, Murrell JN. The metastable quartet state of He+4 The Journal of Chemical Physics. 102: 9442-9443. DOI: 10.1063/1.468812 |
0.41 |
|
| 1995 |
Naumkin FY, Knowles PJ, Murrell JN. Towards reliable modelling of large clusters: on the overall accuracy of the diatomics-in-molecule method for rare gas cluster ions Chemical Physics. 193: 27-36. DOI: 10.1016/0301-0104(94)00414-6 |
0.342 |
|
| 1994 |
Andersson KM, Johnston RL, Murrell JN. Empirical potential-energy function for calcium solids and clusters. Physical Review. B, Condensed Matter. 49: 3089-3097. PMID 10011164 DOI: 10.1103/Physrevb.49.3089 |
0.368 |
|
| 1994 |
Eggen BR, Johnston RL, Murrell JN. Carbon cluster structures and stabilities predicted from solid-state potentials Journal of the Chemical Society, Faraday Transactions. 90: 3029-3037. DOI: 10.1039/Ft9949003029 |
0.385 |
|
| 1994 |
Uppenbrink J, Johnston RL, Murrell JN. Modelling transition metal surfaces with empirical potentials Surface Science. 304: 223-236. DOI: 10.1016/0039-6028(94)90767-6 |
0.356 |
|
| 1994 |
Eggen BR, Marks AJ, Murrell JN, Farantos SC. Water clusters - a speculation Chemical Physics Letters. 219: 247-251. DOI: 10.1016/0009-2614(94)87053-5 |
0.612 |
|
| 1993 |
Fang JY, Johnston RL, Murrell JN. Potential energy functions for atomic solids v. Application to alkali metal solids Molecular Physics. 78: 1405-1422. DOI: 10.1080/00268979300100931 |
0.349 |
|
| 1993 |
Fang JY, Johnston RL, Murrell JN. Potential-energy functions for Cu, Ag and Au solids and their application to clusters of these elements Journal of the Chemical Society, Faraday Transactions. 89: 1659-1665. DOI: 10.1039/Ft9938901659 |
0.328 |
|
| 1993 |
Gao F, Johnston RL, Murrell JN. Empirical many-body potential energy functions for iron Journal of Physical Chemistry. 97: 12073-12082. DOI: 10.1021/J100148A038 |
0.302 |
|
| 1992 |
Belchior JC, Murrell JN, Bosanac SD. The hardness factor in rotational inelastic scattering Molecular Physics. 77: 727-733. DOI: 10.1080/00268979200102731 |
0.34 |
|
| 1992 |
Eggen BR, Johnston RL, Li S, Murrell JN. Potential energy functions for atomic solids iv. Reproducing the properties of more than one solid phase Molecular Physics. 76: 619-633. DOI: 10.1080/00268979200101571 |
0.402 |
|
| 1992 |
Li S, Johnston RL, Murrell JN. Cluster structures and stabilities from solid-state potentials. Application to silicon clusters Journal of the Chemical Society, Faraday Transactions. 88: 1229-1236. DOI: 10.1039/Ft9928801229 |
0.33 |
|
| 1991 |
Al-Derzi AR, Johnston RL, Murrell JN, Rodriguez-Ruizj JA. Potential energy functions for atomic solids iii. fitting phonon frequencies and elastic constants of diamond structures Molecular Physics. 73: 265-282. DOI: 10.1080/00268979100101191 |
0.375 |
|
| 1991 |
Marks AJ, Murrell JN, Stace AJ. A molecular dynamics study of the isomerization of CH3 NC in a dense argon fluid The Journal of Chemical Physics. 94: 3908-3918. DOI: 10.1063/1.460667 |
0.393 |
|
| 1991 |
Marks AJ, Murrell JN, Stace AJ. Computer simulation of xenon dimer formation in a dense inert-gas environment Journal of the Chemical Society, Faraday Transactions. 87: 831-836. DOI: 10.1039/Ft9918700831 |
0.333 |
|
| 1991 |
Balm SP, Allaf AW, Kroto HW, Murrell JN. Potential-energy function for large carbon clusters Journal of the Chemical Society, Faraday Transactions. 87: 803-806. DOI: 10.1039/Ft9918700803 |
0.535 |
|
| 1990 |
Murrell JN, Rodriguez-Ruiz JA. Potential energy functions for atomic solids II. Potential functions for diamond-like structures Molecular Physics. 71: 823-824. DOI: 10.1080/00268979000102131 |
0.376 |
|
| 1990 |
Murrell JN, Mottram RE. Potential energy functions for atomic solids Molecular Physics. 69: 571-585. DOI: 10.1080/00268979000100411 |
0.331 |
|
| 1990 |
Dunne LJ, Murrell JN, Brändas EJ. Off-diagonal long range order from repulsive electronic correlations in the ground state of a two-dimensional localised model of a high-Tc cuprate superconductor Physica C: Superconductivity and Its Applications. 169: 501-507. DOI: 10.1016/0921-4534(90)90598-9 |
0.307 |
|
| 1990 |
Murrell JN. The many‐body expansion of the potential energy function for elemental clusters International Journal of Quantum Chemistry. 37: 95-102. DOI: 10.1002/Qua.560370108 |
0.36 |
|
| 1989 |
Marks AJ, Murrell JN, Stace AJ. The influence of molecular rotation on a gas-phase unimolecular isomerisation reaction Chemical Physics Letters. 154: 492-496. DOI: 10.1016/0009-2614(89)87138-6 |
0.32 |
|
| 1988 |
Marks AJ, Murrell JN, Stace AJ, Buscher H. A model for the computer simulation of chemical reactions in the condensed phase Molecular Physics. 65: 1153-1169. DOI: 10.1080/00268978800101661 |
0.338 |
|
| 1988 |
Braga JP, Guo H, Murrell JN, Dunne LJ. A comparative study of quantum mechanical and classical trajectory calculations for an A + BC collinear non-adiabatic collision Molecular Physics. 65: 909-923. DOI: 10.1080/00268978800101491 |
0.504 |
|
| 1988 |
Guo H, Murrell JN. Dynamics of the Ã-state photodissociation of H2O at 193 nm Molecular Physics. 65: 821-827. DOI: 10.1080/00268978800101431 |
0.353 |
|
| 1988 |
Guo H, Murrell JN. A classical trajectory study of the Ã-state photodissociation of the water molecule Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 84: 949-959. DOI: 10.1039/F29888400949 |
0.461 |
|
| 1987 |
Dunne L, Guo H, Murrell J. The role of the[Btilde]-[Xtilde]conical intersection in the photodissociation of water Molecular Physics. 62: 283-294. DOI: 10.1080/00268978700102201 |
0.512 |
|
| 1987 |
Craven W, Murrell JN. Trajectory studies of S + O2 and O + S2 collisions Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 83: 1733-1741. DOI: 10.1039/F29878301733 |
0.32 |
|
| 1987 |
Murrell JN, Guo H. Potential-energy functions for the ground states of CO2, CS2 and OCS, and dynamical calculations on the reaction O(1D) + CS(1Σ+) → S(1D) + CO(1σ+) Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 83: 683-692. DOI: 10.1039/F29878300683 |
0.489 |
|
| 1987 |
Marks A, Murrell JN, Pedley JB. The torsional barrier for the HCCH group Chemical Physics Letters. 134: 12-16. DOI: 10.1016/0009-2614(87)80004-0 |
0.369 |
|
| 1987 |
Murrell JN, Varandas AJC, Brandão J. The rational fraction representation of diatomic potentials Theoretica Chimica Acta. 71: 459-465. DOI: 10.1007/Bf00530243 |
0.333 |
|
| 1986 |
Braga JP, Knowles DB, Murrell JN. A theoretical study of the non-adiabatic charge transfer process Ar2+ (3p) + He(1S) → Ar+ (2p) + He(2S) Molecular Physics. 57: 665-674. DOI: 10.1080/00268978600100491 |
0.393 |
|
| 1986 |
Murrell JN, Varandas AJC. The many-body expansion of multi-valued surfaces Molecular Physics. 57: 415-420. DOI: 10.1080/00268978600100321 |
0.307 |
|
| 1986 |
Murrell JN, Rodriguez JA. Predicted rate constants for the exothermic reactions of ground state oxygen atoms and CH radicals Journal of Molecular Structure: Theochem. 139: 267-276. DOI: 10.1016/0166-1280(86)87044-0 |
0.418 |
|
| 1986 |
Knowles DB, Murrell JN. SCF, MCSCF and MRCI calculations on the low lying states of LiB Journal of Molecular Structure: Theochem. 135: 169-177. DOI: 10.1016/0166-1280(86)80056-2 |
0.389 |
|
| 1985 |
Murrell JN, Craven W, Vincent M, Zhu1 ZH. Potential energy functions for the ground state surfaces of SO2 and S2O Molecular Physics. 56: 839-851. DOI: 10.1080/00268978500102751 |
0.448 |
|
| 1985 |
Braga JP, Dunne LJ, Murrell JN. A comparison of classical and quantal transition probabilities for a non-adiabatic atom-atom collision Chemical Physics Letters. 120: 147-150. DOI: 10.1016/0009-2614(85)87030-5 |
0.34 |
|
| 1985 |
Craven W, Knowles DB, Murrell JN, Vincent MA, Watts JD. The low-lying electronic states of OClO and ClOO Chemical Physics Letters. 116: 119-124. DOI: 10.1016/0009-2614(85)80138-X |
0.433 |
|
| 1985 |
Schmelzer A, Murrell JN. The general analytic expression for S4‐symmetry‐invariant potential functions of tetra‐atomic homonuclear molecules International Journal of Quantum Chemistry. 28: 287-295. DOI: 10.1002/Qua.560280210 |
0.323 |
|
| 1984 |
Braga JP, Murrell JN. The bound, metastable and virtual states of rare gas hydrides Molecular Physics. 53: 295-300. DOI: 10.1080/00268978400102311 |
0.354 |
|
| 1984 |
Bosanac S, Brobjer JT, Murrell JN. Second virial coefficient of gaseous hf and rotational inelastic scattering for HF-HF collisions Molecular Physics. 51: 313-322. DOI: 10.1080/00268978400100211 |
0.347 |
|
| 1984 |
Huxley P, Knowles DB, Murrell JN, Watts JD. Ground-state diatomic potentials. Part 2. - Van der Waals molecules Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 80: 1349-1361. DOI: 10.1039/F29848001349 |
0.361 |
|
| 1984 |
Dunne LJ, Murrell JN, Stamper JG. Classical trajectories for non-adiabatic molecular collisions Chemical Physics Letters. 112: 497-501. DOI: 10.1016/0009-2614(84)85765-6 |
0.308 |
|
| 1984 |
Farantos SC, Murrell JN, Carter S. Analytical ab initio potential-energy surfaces for the ground and the first singlet excited states of HeH2 Chemical Physics Letters. 108: 367-372. DOI: 10.1016/0009-2614(84)85208-2 |
0.668 |
|
| 1984 |
Knowles DB, Murrell JN, Braga JP. Complete Cl calculations on the ground state of HeH Chemical Physics Letters. 110: 40-42. DOI: 10.1016/0009-2614(84)80142-6 |
0.43 |
|
| 1983 |
Gil VMS, Varandas AJC, Murrell JN. On the use of the rotational isomeric state approximation in studies of internal rotation Canadian Journal of Chemistry. 61: 163-170. DOI: 10.1139/V83-029 |
0.386 |
|
| 1983 |
Dunne LJ, Murrell JN. Quasi-classical dynamics on the ground state surface of H2O Molecular Physics. 50: 635-644. DOI: 10.1080/00268978300102601 |
0.364 |
|
| 1983 |
Murrell JN, Craven W, Farantos SC. Classical dynamics of the reaction of s(3p) with 02(3∑g-) Molecular Physics. 49: 1077-1084. DOI: 10.1080/00268978300101781 |
0.642 |
|
| 1983 |
Brobjer JT, Murrell JN. Geometries of van der Waals complexes of small polar molecules Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 79: 1455-1464. DOI: 10.1039/F29837901455 |
0.375 |
|
| 1983 |
Huxley P, Murrell JN. Ground-state diatomic potentials Journal of the Chemical Society, Faraday Transactions 2. 79: 323. DOI: 10.1039/F29837900323 |
0.394 |
|
| 1983 |
Murrell JN, Zhu ZH. Simple potential functions for atom-diatom reactive collisions Journal of Molecular Structure: Theochem. 103: 235-244. DOI: 10.1016/0166-1280(83)85023-4 |
0.425 |
|
| 1983 |
Murrell JN, Dunne LJ. Quasi-classical kinetics on the ground-state potential-energy surface of CH2 Chemical Physics Letters. 102: 155-157. DOI: 10.1016/0009-2614(83)87383-7 |
0.389 |
|
| 1982 |
Carter S, Mills IM, Murrell JN, Varandas AJ. Analytical potentials for triatomic molecules IX. The prediction of anharmonic force constants from potential energy surfaces based on harmonic force fields and dissociationenergies for SO2 and O3 Molecular Physics. 45: 1053-1066. DOI: 10.1080/00268978200100801 |
0.611 |
|
| 1982 |
Farantos SC, Murrell JN, Hajduk JC. Monte Carlo calculations of classical density of states for non-separable polyatomic potential energy surfaces Chemical Physics. 68: 109-117. DOI: 10.1016/0301-0104(82)85085-4 |
0.681 |
|
| 1982 |
Murrell JN, Carter S, Halonen LO. Frequency optimized potential energy functions for the ground-state surfaces of HCN and HCP Journal of Molecular Spectroscopy. 93: 307-316. DOI: 10.1016/0022-2852(82)90170-9 |
0.435 |
|
| 1982 |
Zhu ZH, Murrell JN. Standard basis set with polarization functions Chemical Physics Letters. 88: 262-265. DOI: 10.1016/0009-2614(82)87084-X |
0.3 |
|
| 1982 |
Varandas AJC, Murrell JN. Dynamics of the 18O + 16O2(υ=0) exchange reaction on a new potential energy surface for ground-state ozone Chemical Physics Letters. 88: 1-6. DOI: 10.1016/0009-2614(82)80058-4 |
0.424 |
|
| 1982 |
Craven W, Murrell JN, Varandas AJC. An analytical expression for the minimum of the effective potential of a rotating-vibrating diatomic molecule Chemical Physics Letters. 89: 368-370. DOI: 10.1016/0009-2614(82)80002-X |
0.336 |
|
| 1981 |
Murrell JN, Tennyson J, Kamel MA. Many-body contributions to the intermolecular potential in alkali halide crystals and clusters Molecular Physics. 42: 747-755. DOI: 10.1080/00268978100100601 |
0.351 |
|
| 1981 |
Murrell JN, Carter S, Mills IM, Guest MF. Analytical potentials for triatomic molecules VIII. A two-valued surface for the lowest1A' states of H2O Molecular Physics. 42: 605-627. DOI: 10.1080/00268978100100491 |
0.469 |
|
| 1981 |
Tennyson J, Murrell JN. A study of the variational convergence of the F centre energy levels of LIF Molecular Physics. 42: 297-305. DOI: 10.1080/00268978100100261 |
0.424 |
|
| 1981 |
Farantos SC, Murrell JN. Studies on atom-triatom reactive scattering. Classical dynamics of H + C2H collisions Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 77: 2279-2288. DOI: 10.1039/F29817702279 |
0.645 |
|
| 1981 |
Farantos SC, Murrell JN. On the transition from quasiperiodic to stochastic classical motion on real polyatomic potential energy surfaces Chemical Physics. 55: 205-214. DOI: 10.1016/0301-0104(81)85021-5 |
0.656 |
|
| 1981 |
Thomas Brobjer J, Murrell JN. A comparison of the multipole-expansion and point-charge models of the electrostatic energy between polar diatomic molecules Chemical Physics Letters. 77: 601-603. DOI: 10.1016/0009-2614(81)85215-3 |
0.317 |
|
| 1981 |
Varandas AJC, Murrell JN. Choosing points in potential energy surfaces for fitting polynomial functions: application of permutational symmetry Chemical Physics Letters. 84: 440-445. DOI: 10.1016/0009-2614(81)80381-8 |
0.376 |
|
| 1981 |
Erkoç S, Murrell JN. Quantum mechanical calculations of vibrational transition probabilities in collinear atom–triatom collisions International Journal of Quantum Chemistry. 19: 105-112. DOI: 10.1002/Qua.560190110 |
0.354 |
|
| 1981 |
Farantos SC, Murrell JN. Application of the strong-coupling correspondence principle to atom–triatom collinear collisions International Journal of Quantum Chemistry. 19: 95-104. DOI: 10.1002/Qua.560190109 |
0.598 |
|
| 1980 |
Carter S, Mills IM, Murrell JN. A potential energy surface for the ground state of acetylene, H2C2(X1Σg+) Molecular Physics. 41: 191-203. DOI: 10.1080/00268978000102681 |
0.418 |
|
| 1980 |
Farantos SC, Murrell JN. A classical trajectory study of the reaction H+HCO→H2+CO Molecular Physics. 40: 883-891. DOI: 10.1080/00268978000101951 |
0.512 |
|
| 1980 |
Carter S, Mills IM, Murrell JN. A potential energy surface for the ground state of formaldehyde, H2CO(X1A1) Molecular Physics. 39: 455-469. DOI: 10.1080/00268978000100371 |
0.478 |
|
| 1980 |
Murrell JN, Derzi AA. Calculations on the ground states of HCN+ and HNC+ Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 76: 319-323. DOI: 10.1039/F29807600319 |
0.393 |
|
| 1980 |
Carter S, Murrell JN. The barrier to internal rotation in metallocenes Journal of Organometallic Chemistry. 192: 399-408. DOI: 10.1016/S0022-328X(00)81232-2 |
0.388 |
|
| 1980 |
Carter S, Mills IM, Murrell JN. Analytical functions for the ground state potential surfaces of C3(X ̃, 1Σg +) and HCN(X ̃, 1Σ+) Journal of Molecular Spectroscopy. 81: 110-121. DOI: 10.1016/0022-2852(80)90332-X |
0.443 |
|
| 1980 |
Erkoc S, Murrell JN, Clary DC. Quantum-mechanical calculations of collinear atom-triatom transition probabilities for anharmonic triatom potentials Chemical Physics Letters. 72: 264-268. DOI: 10.1016/0009-2614(80)80288-0 |
0.371 |
|
| 1980 |
Murrell JN, Al-Derzi A, Leigh GJ, Guest MF. Ab-initio SCF molecular-orbital calculations on dinitrogen transition-metal complexes Journal of the Chemical Society, Dalton Transactions. 1425-1433. DOI: 10.1002/Chin.198045003 |
0.324 |
|
| 1979 |
Murrell JN, Al-Derzi A, Tennyson J, Guest MF. Potential energy curves of the lower states of CN+ Molecular Physics. 38: 1755-1760. DOI: 10.1080/00268977900102831 |
0.384 |
|
| 1979 |
Murrell JN, Carter S, Mills IM. Analytical potentials for triatomic molecules from spectroscopic data: VI. On choosing internal coordinates to describe triatomic potential energy surfaces with more than one minimum Molecular Physics. 37: 1885-1899. DOI: 10.1080/00268977900101391 |
0.428 |
|
| 1979 |
Murrell JN, Carter S, Mills IM, Guest MF. Analytical potentials for triatomic molecules from spectroscopic data: V. Application to HOX (X=F, Ci, Br, I) Molecular Physics. 37: 1199-1222. DOI: 10.1080/00268977900100881 |
0.376 |
|
| 1979 |
Carter S, Mills IM, Murrell JN. Potential energy functions for ground state surfaces of HCO and HNO Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 75: 148-157. DOI: 10.1039/F29797500148 |
0.416 |
|
| 1979 |
Varandas AJC, Tennyson J, Murrell JN. Chercher le croisement Chemical Physics Letters. 61: 431-434. DOI: 10.1016/0009-2614(79)87143-2 |
0.442 |
|
| 1978 |
Murrell JN, Carter S, Varandas AJC. Analytical potentials for triatomic molecules from spectroscopic data IV. Application to linear molecules Molecular Physics. 35: 1325-1336. DOI: 10.1080/00268977800100981 |
0.393 |
|
| 1978 |
Stace AJ, Murrell JN. Dynamics of the oxygen exchange reaction Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 74: 2182-2186. DOI: 10.1039/F29787402182 |
0.334 |
|
| 1978 |
Kinnersly SR, Murrell JN, Rodwell WR. Collisional quenching of O(1D) by rare gas atoms Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 74: 600-606. DOI: 10.1039/F29787400600 |
0.388 |
|
| 1978 |
Yinnon AT, Bosanac S, Gerber RB, Murrell JN. Coupled-channel calculations and the accuracy of the sudden approximation for atom-surface scattering Chemical Physics Letters. 58: 364-367. DOI: 10.1016/0009-2614(78)85054-4 |
0.324 |
|
| 1978 |
Farantos SC, Murrell JN. Classical dynamics of the O + ClO → Cl + O2 and Cl + O3 → ClO + O2 reactions International Journal of Quantum Chemistry. 14: 659-674. DOI: 10.1002/Qua.560140513 |
0.63 |
|
| 1977 |
Stace AJ, Murrell JN. Molecular dynamics and chemical reactivity a computer study of iodine atom recombination under high pressure conditions Molecular Physics. 33: 1-24. DOI: 10.1080/00268977700103001 |
0.34 |
|
| 1977 |
Murrell JN, Farantos S. An analytical function for the potential energy surface of ozone Molecular Physics. 34: 1185-1188. DOI: 10.1080/00268977700102431 |
0.625 |
|
| 1977 |
Farantos S, Leisegang EC, Murrell JN, Sorbie K, Texeira-Dias JJ, Varandas AJC. Analytical potentials for triatomic molecules from spectroscopic data III. Application to a2b molecules whose surfaces have more than one minimum Molecular Physics. 34: 947-962. DOI: 10.1080/00268977700102261 |
0.659 |
|
| 1977 |
Kinnersly SR, Murrell JN. A classical dynamical study of the reaction between C(3P) and o2(3Σg -) Molecular Physics. 33: 1479-1494. DOI: 10.1080/00268977700101241 |
0.4 |
|
| 1977 |
Vincent IG, Murrell JN. Non-empirical calculations with valence-shell molecular orbitals Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 73: 973-982. DOI: 10.1039/F29777300973 |
0.365 |
|
| 1977 |
Varandas AJC, Murrell JN. Potential for the ground state of ammonia Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 73: 939-942. DOI: 10.1039/F29777300939 |
0.372 |
|
| 1977 |
Loesch HJ, Carley JS, Zandee L, Reuss J, Le Roy RJ, Child MS, Dixon DA, Herschbach DR, Klemperer W, Whitehead RJ, Swaminathan S, Guth E, Beveridge DL, Kutzelnigg W, Murrell JN, et al. General discussion Faraday Discussions of the Chemical Society. 62: 300-346. DOI: 10.1039/DC9776200300 |
0.68 |
|
| 1977 |
Varandas AJC, Murrell JN. A many-body expansion of polyatomic potential energy surfaces: application to Hn systems Faraday Discussions of the Chemical Society. 62: 92-109. DOI: 10.1039/Dc9776200092 |
0.426 |
|
| 1977 |
Murrell JN, Kroto HW, Guest MF. Double-bonded divalent silicon: Ab-initio calculations on the species HSiN, HNSi, HCSiH, and H2CSi Journal of the Chemical Society, Chemical Communications. 619-620. DOI: 10.1039/C39770000619 |
0.533 |
|
| 1976 |
Murrell JN, Sorbie KS, Varandas AJC. Analytical potentials for triatomic molecules from spectroscopic data ii. Application to ozone Molecular Physics. 32: 1359-1372. DOI: 10.1080/00268977600102741 |
0.427 |
|
| 1976 |
Madden PA, Murrell JN. Quantum mechanical calculations on collinear reactive collisions over potential wells Molecular Physics. 31: 1643-1652. DOI: 10.1080/00268977600101311 |
0.377 |
|
| 1976 |
Murrell JN, Stace AJ. A study of the transition state for the unimolecular decomposition of a triatomic molecule Molecular Physics. 31: 1407-1423. DOI: 10.1080/00268977600101101 |
0.412 |
|
| 1976 |
Murrell JN, Varandas AJ, Guest MF. The potential energy surface for the lowest quartet state of H3 Molecular Physics. 31: 1129-1135. DOI: 10.1080/00268977600100861 |
0.628 |
|
| 1976 |
Sorbie KS, Murrell JN. Theoretical study of the o(1d) + h2(1Σg+) reactive quenching process Molecular Physics. 31: 905-920. DOI: 10.1080/00268977600100681 |
0.377 |
|
| 1976 |
Murrell JN, Scollary CE. Non-empirical valence-shell self-consistent field molecular-orbital calculations on Group 5 tri- and penta-halides Journal of the Chemical Society, Dalton Transactions. 818-822. DOI: 10.1002/Chin.197628002 |
0.303 |
|
| 1975 |
Murrell JN, Varandas AJC. Perturbation calculations of rare-gas potentials near the van der Waals minimum Molecular Physics. 30: 223-236. DOI: 10.1080/00268977500101911 |
0.415 |
|
| 1975 |
Murrell JN, Vincent IG. Ab initio calculations on valence-shell molecular orbitals Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 71: 890-901. DOI: 10.1039/F29747000769 |
0.424 |
|
| 1974 |
Conway A, Murrell JN. The exchange energy between neon atoms Molecular Physics. 27: 873-878. DOI: 10.1080/00268977400100791 |
0.416 |
|
| 1974 |
Haines LM, Murrell JN, Ralston BJ, Woodnutt DJ. Gaussian cell model for molecular orbitals Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 70: 1794-1800. DOI: 10.1039/F29747001794 |
0.418 |
|
| 1974 |
Murrell JN, Sorbie KS. New analytic form for the potential energy curves of stable diatomic states Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 70: 1552-1556. DOI: 10.1039/F29747001552 |
0.332 |
|
| 1974 |
Horn M, Murrell JN. A theoretical study of the effect of silyl substituents on the ionization potentials and electron distribution of ethylene Journal of Organometallic Chemistry. 70: 51-60. DOI: 10.1016/S0022-328X(00)88244-3 |
0.365 |
|
| 1974 |
Clary DC, Lewis AA, Morland D, Murrell JN, Heilbronner E. Ionization potentials of cycloalkenes Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 70: 1889-1894. DOI: 10.1002/Chin.197503056 |
0.306 |
|
| 1973 |
Gottdiener L, Murrell JN. On the determination of the long-range form of the interatomic potential from quasi-bound levels Molecular Physics. 25: 1041-1049. DOI: 10.1080/00268977300100911 |
0.357 |
|
| 1973 |
Murrell JN, Pedley JB, Durmaz S. Potential energy surfaces for the reaction CH2 + H2 → CH4 Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 69: 1370-1380. DOI: 10.1039/F29736901370 |
0.386 |
|
| 1973 |
Murrell JN, Pedley JB, Durmaz S. Potential Energy Surfaces For The Reaction Ch2+H2-Ch4 Cheminform. 4. DOI: 10.1002/Chin.197342170 |
0.308 |
|
| 1972 |
Booth D, Murrell JN. Quantum mechanical calculations of the HCN-HNC isomerization Molecular Physics. 24: 1117-1122. DOI: 10.1080/00268977200102191 |
0.422 |
|
| 1972 |
Conway A, Murrell JN. The dependence of exchange and coulomb energies on wave functions of the interacting systems Molecular Physics. 23: 1143-1146. DOI: 10.1080/00268977200101101 |
0.336 |
|
| 1972 |
Durmaz S, Murrell JN, Pedley JB. Calculations on the lowest energy state of planar methane Journal of the Chemical Society, Chemical Communications. 933-934. DOI: 10.1039/C39720000933 |
0.445 |
|
| 1971 |
Durmaz S, Murrell JN. The effect of rotations on the predissociation probabilities of diatomic molecular spectra Molecular Physics. 21: 209-216. DOI: 10.1080/00268977100101351 |
0.398 |
|
| 1971 |
Dixon RN, Murrell JN, Narayan B. The photoelectron spectra of the halomethanes Molecular Physics. 20: 611-623. DOI: 10.1080/00268977100100591 |
0.33 |
|
| 1971 |
Murrell JN, Conway A, Harada Y. The correlation between molecular and atomic Rydberg levels Molecular Physics. 20: 161-169. DOI: 10.1080/00268977100100161 |
0.432 |
|
| 1971 |
Guest MF, Murrell JN, Pedley JB. Potential energy surfaces of CH5+by non-empirical calculations Molecular Physics. 20: 81-92. DOI: 10.1080/00268977100100091 |
0.375 |
|
| 1970 |
Durmaz S, Murrell JN, Taylor JM, Suffolk R. Calculation of the intensities of the vibrational components of the ammonia ultra-violet absorption bands Molecular Physics. 19: 533-541. DOI: 10.1080/00268977000101541 |
0.339 |
|
| 1970 |
Murrell JN, Teixeira-Dias JJC. The dependence of exchange energy on orbital overlap Molecular Physics. 19: 521-531. DOI: 10.1080/00268977000101531 |
0.386 |
|
| 1970 |
Narayan B, Murrell JN. An analysis of the photo-electron and U.V. spectra of the fluorobenzenes and its relevance to the position of the second π-ionization potential of benzene Molecular Physics. 19: 169-176. DOI: 10.1080/00268977000101141 |
0.381 |
|
| 1970 |
Velenik A, Živković T, Jeu WHd, Murrell JN. The hydrogen atom in the presence of the Fermi-contact interaction Molecular Physics. 18: 693-696. DOI: 10.1080/00268977000100731 |
0.382 |
|
| 1970 |
Silk CL, Murrell JN. Optimum atomic orbital exponents for molecular wave functions Molecular Physics. 18: 533-543. DOI: 10.1080/00268977000100591 |
0.4 |
|
| 1970 |
Ditchfield R, Ostlund NS, Murrell JN, Turpin MA. Comparison of the sum-over-states and finite perturbation theories of electrical polarizability and nuclear spin-spin coupling Molecular Physics. 18: 433-440. DOI: 10.1080/00268977000100501 |
0.617 |
|
| 1970 |
Murrell JN, Turpin MA, Ditchfield R. Sum-over-states calculation of the nuclear spin coupling constant of hydrogen fluoride Molecular Physics. 18: 271-274. DOI: 10.1080/00268977000100281 |
0.66 |
|
| 1969 |
Briggs MP, Murrell JN, Stamper JG. The calculation of dispersion energies by the variation method Molecular Physics. 17: 381-386. DOI: 10.1080/00268976900101161 |
0.39 |
|
| 1969 |
Murrell JN, Taylor JM. Predissociation in diatomic spectra with special reference to the Schumann-Runge bands of O2 Molecular Physics. 16: 609-621. DOI: 10.1080/00268976900100681 |
0.362 |
|
| 1969 |
Murrell JN. Bound vibrational states for weakly attractive potentials Molecular Physics. 16: 601-607. DOI: 10.1080/00268976900100671 |
0.408 |
|
| 1968 |
Ditchfield R, Murrell JN. A CNDO calculation of nuclear spin-spin coupling constants in hydrocarbons Molecular Physics. 14: 481-486. DOI: 10.1080/00268976800100601 |
0.648 |
|
| 1968 |
Murrell JN, Laidler KJ. Symmetries of activated complexes Transactions of the Faraday Society. 64: 371-377. DOI: 10.1039/Tf9686400371 |
0.32 |
|
| 1968 |
Murrell JN, Shaw G. H-H-interactions in the region of small orbital overlap Theoretical Chemistry Accounts. 11: 434-440. DOI: 10.1007/Bf00526661 |
0.428 |
|
| 1968 |
Ditchfield R, Jones GT, Murrell JN. The mechanism of long-range proton-proton coupling Theoretica Chimica Acta. 9: 253-259. DOI: 10.1007/Bf00526604 |
0.602 |
|
| 1967 |
Murrell JN, Shaw G. THE He--He POTENTIAL ENERGY IN THE REGION OF THE VAN DER WAALS MINIMUM. Molecular Physics. 12: 475-480. DOI: 10.1080/00268976700100601 |
0.415 |
|
| 1967 |
Duijneveldt FBv, Murrell JN. Some Calculations on the Hydrogen Bond Journal of Chemical Physics. 46: 1759-1767. DOI: 10.1063/1.1840932 |
0.385 |
|
| 1967 |
Williams DR, Schaad LJ, Murrell JN. Deviations from Pairwise Additivity in Intermolecular Potentials Journal of Chemical Physics. 47: 4916-4922. DOI: 10.1063/1.1701740 |
0.409 |
|
| 1966 |
Murrell JN, Hinchliffe A. Calculation of the singlet-triplet splitting of the dinegative ions of some aromatic molecules Molecular Physics. 11: 101-104. DOI: 10.1080/00268976600100911 |
0.385 |
|
| 1966 |
van Duijneveldt FB, Gil VMS, Murrell JN. The Calculation of directly bonded 13C-H and 13C-13C coupling constants using delocalized molecular orbital theory Theoretica Chimica Acta. 4: 85-93. DOI: 10.1007/Bf00526013 |
0.331 |
|
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