| Year |
Citation |
Score |
| 2013 |
Serafin LM, Law MM, van Mourik T. Computational Studies of Bridging Structures and Isomerism in Substituted Disilynes. Journal of Chemical Theory and Computation. 9: 2697-705. PMID 26583863 DOI: 10.1021/Ct400324W |
0.304 |
|
| 2013 |
Law MM, Perotto CU. The vibrational bound states of isomerising disilyne. The Journal of Chemical Physics. 139: 064308. PMID 23947856 DOI: 10.1063/1.4817533 |
0.401 |
|
| 2012 |
Law MM, Fraser-Smith JT, Perotto CU. The potential energy surface of isomerising disilyne. Physical Chemistry Chemical Physics : Pccp. 14: 6922-36. PMID 22511004 DOI: 10.1039/C2Cp40605E |
0.431 |
|
| 2010 |
McKean DC, Law MM, Groner P, Conrad AR, Tubergen MJ, Feller D, Moore MC, Craig NC. Infrared spectra of CF(2)=CHD and CF(2)=CD(2): scaled quantum-chemical force fields and an equilibrium structure for 1,1-difluoroethylene. The Journal of Physical Chemistry. A. 114: 9309-18. PMID 20690633 DOI: 10.1021/Jp104498N |
0.386 |
|
| 2010 |
McKean DC, van der Veken B, Herrebout W, Law MM, Brenner MJ, Nemchick DJ, Craig NC. Infrared spectra of (12)CF(2)=(12)CH(2) and (12)CF(2)=(13)CH(2), quantum-chemical calculations of anharmonicity, and analyses of resonances. The Journal of Physical Chemistry. A. 114: 5728-42. PMID 20394448 DOI: 10.1021/Jp100438Z |
0.372 |
|
| 2008 |
McKean DC, Craig NC, Law MM. Vibrational anharmonicity and harmonic force fields for dichloromethane from quantum-chemical calculations. The Journal of Physical Chemistry. A. 112: 10006-16. PMID 18774789 DOI: 10.1021/Jp803881C |
0.413 |
|
| 2008 |
McKean DC, Craig NC, Law MM. Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity. The Journal of Physical Chemistry. A. 112: 6760-71. PMID 18582021 DOI: 10.1021/Jp800628X |
0.43 |
|
| 2008 |
McKean DC, Craig NC, Law MM. Scaled quantum chemical force fields for 1,1-difluorocyclopropane and the influence of vibrational anharmonicity Journal of Physical Chemistry A. 112: 6760-6771. DOI: 10.1021/jp800628x |
0.322 |
|
| 2006 |
Manson SA, Law MM, Atkinson IA, Thomson GA. The molecular potential energy surface and vibrational energy levels of methyl fluoride. Part II. Physical Chemistry Chemical Physics : Pccp. 8: 2855-65. PMID 16775641 DOI: 10.1039/B603108K |
0.447 |
|
| 2006 |
Manson SA, Law MM. General internal coordinate gradient vectors and the vibrational kinetic energy operator of centrally-connected penta-atomic systems. Part I. Physical Chemistry Chemical Physics : Pccp. 8: 2848-54. PMID 16775640 DOI: 10.1039/B603106D |
0.338 |
|
| 2005 |
Kozin IN, Law MM, Tennyson J, Hutson JM. Calculating energy levels of isomerizing tetra-atomic molecules. II. The vibrational states of acetylene and vinylidene. The Journal of Chemical Physics. 122: 064309. PMID 15740374 DOI: 10.1063/1.1850471 |
0.6 |
|
| 2004 |
Kozin IN, Law MM, Tennyson J, Hutson JM. New vibration–rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4 Computer Physics Communications. 163: 117-131. DOI: 10.1016/J.Cpc.2004.07.005 |
0.558 |
|
| 2003 |
Kozin IN, Law MM, Hutson JM, Tennyson J. Calculating energy levels of isomerizing tetra-atomic molecules. I. The rovibrational bound states of Ar2HF The Journal of Chemical Physics. 118: 4896-4904. DOI: 10.1063/1.1545109 |
0.597 |
|
| 2002 |
Atkinson IA, Law MM. The anharmonic potential energy surface of methyl fluoride. Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 58: 873-885. PMID 11991500 DOI: 10.1016/S1386-1425(01)00675-8 |
0.372 |
|
| 2001 |
Atkinson IA, Law MM. The Fourier Transform Infrared Spectra of CH2DF: the v5 and v6 bands Journal of Molecular Spectroscopy. 206: 135-138. PMID 11281692 DOI: 10.1006/Jmsp.2001.8299 |
0.308 |
|
| 2001 |
Black GM, Law MM. The General Harmonic Force Field of Methyl Chloride. Journal of Molecular Spectroscopy. 205: 280-285. PMID 11162215 DOI: 10.1006/Jmsp.2000.8275 |
0.333 |
|
| 1999 |
Law MM. Joint local- and normal-mode studies of the overtone spectra of the methyl halides: CH3F, CH3Cl, CH3Br, CD3Br, and CH3I Journal of Chemical Physics. 111: 10021-10033. DOI: 10.1063/1.480355 |
0.386 |
|
| 1998 |
Law MM, Duncan JL. Anharmonically-coupled local mode to normal mode Hamiltonian transformations: beyond the x, K -relations Molecular Physics. 93: 821-830. DOI: 10.1080/002689798168835 |
0.304 |
|
| 1998 |
Law MM, Duncan JL. Anharmonic Stretching Vibrations Expressed As Local Modes Molecular Physics. 93: 809-819. DOI: 10.1080/00268979809482266 |
0.357 |
|
| 1997 |
Duncan JL, Law MM. Vibrational anharmonicity in dideuteromethane: a study of its infrared spectrum up to 17 000 cm -1 Spectrochimica Acta Part a: Molecular and Biomolecular Spectroscopy. 53: 1445-1457. DOI: 10.1016/S1386-1425(97)01815-5 |
0.375 |
|
| 1997 |
Law MM, Hutson JM. I-NoLLS: A program for interactive nonlinear least-squares fitting of the parameters of physical models Computer Physics Communications. 102: 252-268. DOI: 10.1016/S0010-4655(97)00013-1 |
0.513 |
|
| 1996 |
Carrington A, Pyne CH, Shaw AM, Taylor SM, Hutson JM, Law MM. Microwave spectroscopy and interaction potential of the long-range He⋯Kr+ ion: An example of Hund's case (e) Journal of Chemical Physics. 105: 8602-8614. DOI: 10.1063/1.472999 |
0.525 |
|
| 1996 |
Carrington A, Pyne CH, Shaw AM, Taylor SM, Hutson JM, Law MM. Microwave spectroscopy and interaction potential of the long‐range He⋯Kr+ ion: An example of Hund’s case (e) The Journal of Chemical Physics. 105: 8602-8614. DOI: 10.1063/1.472999 |
0.456 |
|
| 1996 |
Hutson JM, Ernesti A, Law MM, Roche CF, Wheatley RJ. The intermolecular potential energy surface for CO2-Ar: Fitting to high-resolution spectroscopy of Van der Waals complexes and second virial coefficients Journal of Chemical Physics. 105: 9130-9140. DOI: 10.1063/1.472747 |
0.613 |
|
| 1995 |
Carrington A, Leach CA, Marr AJ, Shaw AM, Viant MR, Hutson JM, Law MM. Microwave spectroscopy and interaction potential of the long‐range He...Ar+ion The Journal of Chemical Physics. 102: 2379-2403. DOI: 10.1063/1.468670 |
0.517 |
|
| 1994 |
Law MM, Duncan JL. Local mode and normal mode stretching vibrations in xh4 and xh3systems: Beyond the x, k relations Molecular Physics. 83: 757-770. DOI: 10.1080/00268979400101551 |
0.309 |
|
| 1993 |
Law MM, Duncan JL. Second-order perturbation theory corrections to effective Fermi resonance coupling constants Chemical Physics Letters. 212: 172-176. DOI: 10.1016/0009-2614(93)87126-N |
0.358 |
|
| 1992 |
Law MM, Duncan JL, Mills IM. The general harmonic force field of methyl fluoride Journal of Molecular Structure-Theochem. 260: 323-331. DOI: 10.1016/0166-1280(92)87052-2 |
0.308 |
|
| 1990 |
Duncan JL, Law MM. A study of vibrational anharmonicity, fermi resonance interactions, and local mode behavior in CH3Cl Journal of Molecular Spectroscopy. 140: 13-30. DOI: 10.1016/0022-2852(90)90003-9 |
0.378 |
|
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