Publications of H. Lin
All genres
Journal Article (12)
2005
Journal Article
103 (2-3), pp. 359 - 378 (2005)
Rotation-vibration motion of pyramidal XY₃ molecules described in the Eckart frame: Theory and application to NH₃. Molecular Physics
Journal Article
122 (10), 104317 (2005)
Dipole moment and rovibrational intensities in the electronic ground state of NH₃: Bridging the gap between ab initio theory and spectroscopic experiment. Journal of Chemical Physics
Journal Article
123 (13), 134308 (2005)
Potential-energy surface for the electronic ground state of NH₃ up to 20,000 cm⁻¹ above equilibrium. Journal of Chemical Physics 2004
Journal Article
108 (28), pp. 10083 - 10088 (2004)
QM/MM study of the product-enzyme complex in P450cam catalysis. Journal of Physical Chemistry B
Journal Article
126 (12), pp. 4017 - 4034 (2004)
Quantum mechanical/molecular mechanical investigation of the mechanism of C-H hydroxylation of camphor by cytochrome P450cam: Theory supports a two-state rebound mechanism. Journal of the American Chemical Society 2002
Journal Article
117 (24), pp. 11265 - 11276 (2002)
Vibrational energies for NH3 based on high level ab initio potential energy surfaces. Journal of Chemical Physics
Journal Article
116 (1), pp. 105 - 111 (2002)
Calculation of the Si-H stretching-bending overtones in SiHCl3 employing ab initio potential energy and dipole moment surfaces. Journal of Chemical Physics
Journal Article
124, pp. 8142 - 8151 (2002)
The Elusive Oxidant Species of Cytochrome P450 Enzymes: Characterization by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Calculations. Journal of the American Chemical Society 2001
Journal Article
349 (1-2), pp. 131 - 136 (2001)
Four-dimensional dipole moment surfaces and local mode vibrational band intensities of GeH4. Chemical Physics Letters
Journal Article
115 (3), pp. 1378 - 1391 (2001)
The Si–H stretching–bending overtone polyads of SiHF3: Assignments, band intensities, internal coordinate force field, and ab initio dipole moment surfaces. The Journal of Chemical Physics
Journal Article
105 (25), pp. 6065 - 6072 (2001)
Overtones of the Si−H Stretching−Bending Polyad in SiHD3: Internal Coordinate Force Field, ab initio Dipole Moment Surfaces, and Band Intensities. The Journal of Physical Chemistry A
Journal Article
3 (17), pp. 3506 - 3517 (2001)
The vibrational overtones of SiH4 isotopomers: experimental wavenumbers, assignment, ab initio dipole moment surfaces and intensities. Physical Chemistry Chemical Physics Book Chapter (2)
2006
Book Chapter
Theoretical quantitative spectroscopy: Computer simulation of molecular spectra. In: Remote Sensing of the Atmosphere for Environmental Security, pp. 171 - 183 (Ed. Perrin, A.). Springer, Dordrecht (2006)
2005
Book Chapter
Rotation-vibration motion of pyramidal XY₃ molecules described in the Eckart frame: The calculation of intensities with application to NH₃. In: ADVANCES IN QUANTUM CHEMISTRY, pp. 209 - 238. ELSEVIER ACADEMIC PRESS INC, SAN DIEGO (2005)