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	Automatic derivation and evaluation of vibrational coupled cluster theory equations [My Copy] The Journal of Chemical Physics, Vol. 131, No. 23. (2009), 234109. by Peter Seidler, Ove Christiansen posted to vibrational-frequencies vibcc coupled-cluster anharmonic by Gershom on 2009-12-22 15:19:35 as
	Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE [My Copy] The Journal of Chemical Physics, Vol. 131, No. 22. (2009), 224106. by Stuart Carter, Amit R. Sharma, Joel M. Bowman, Pavel Rosmus, Riccardo Tarroni posted to vibrational-frequencies multimode intensities anharmonic by Gershom on 2009-12-22 15:17:57 as
	Vibrational Spectroscopy of the G. . .C Base Pair: Experiment, Harmonic and Anharmonic Calculations, and the Nature of the Anharmonic Couplings [My Copy] The Journal of Physical Chemistry A, Vol. 109, No. 31. (1 August 2005), pp. 6974-6984. by Brina Brauer, R. Benny Gerber, Martin Kabelač, et al.Pavel Hobza, Joost M. Bakker, Ali G. Abo Riziq, Mattanjah S. de Vries posted to vscf vibrational-spectra hydrogen-bond hobza-p gerber-rb anharmonic 2look by zfekete on 2009-11-10 16:22:18 as
	Anharmonic resonant modes and the low-temperature specific heat of glasses [My Copy] Physical Review B, Vol. 39, No. 5. (Feb 1989), pp. 3374-3379. by A. J. Sievers, S. Takeno posted to anharmonic resonant-modes by Scis0000002 on 2009-07-09 11:56:09 as
	The effect of approximating some molecular integrals in coupled-cluster calculations: fundamental frequencies and rovibrational spectroscopic constants for isotopologues of cyclopropenylidene [My Copy] Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, Vol. 107, No. 8. (2009), pp. 1139-1152. by Timothy J. Lee, Xinchuan Huang, Christopher E. Dateo posted to anharmonic ccsdt integral-approximation large-basis-sets by Gershom on 2009-06-02 13:52:08 as
	High-Accuracy ab Initio Rotation-Vibration Transitions for Water [My Copy] Science, Vol. 299, No. 5606. (24 January 2003), pp. 539-542. by Oleg L. Polyansky, Attila G. Csaszar, Sergei V. Shirin, et al.Nikolai F. Zobov, Paolo Barletta, Jonathan Tennyson, David W. Schwenke, Peter J. Knowles posted to anharmonic spectroscopic water by Gershom on 2009-05-18 10:41:09 as
	CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule [My Copy] The Journal of Chemical Physics, Vol. 125, No. 20. (2006), 204307. by Paolo Barletta, Sergei V. Shirin, Nikolai F. Zobov, et al.Oleg L. Polyansky, Jonathan Tennyson, Edward F. Valeev, Attila G. Császár posted to anharmonic spectroscopic water by Gershom on 2009-05-18 10:40:25 as
	Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H[sub 2][sup 16]O, H[sub 2][sup 17]O, and H[sub 2][sup 18]O [My Copy] The Journal of Chemical Physics, Vol. 128, No. 22. (2008), 224306. by Sergei V. Shirin, Nikolay F. Zobov, Roman I. Ovsyannikov, Oleg L. Polyansky, Jonathan Tennyson posted to anharmonic spectroscopic water by Gershom on 2009-05-18 10:37:03 as
	A procedure for computing accurate ab initio quartic force fields: Application to HO[sub 2][sup +] and H[sub 2]O [My Copy] The Journal of Chemical Physics, Vol. 129, No. 4. (2008), 044312. by Xinchuan Huang, Timothy J. Lee posted to ab-initio anharmonic water by Gershom on 2009-05-18 10:25:00 as
	On equilibrium structures of the water molecule [My Copy] The Journal of Chemical Physics, Vol. 122, No. 21. (2005), 214305. by Attila G. Császár, Gábor Czakó, Tibor Furtenbacher, et al.Jonathan Tennyson, Viktor Szalay, Sergei V. Shirin, Nikolai F. Zobov, Oleg L. Polyansky posted to anharmonic equilibrium-geometry spectroscopic water by Gershom on 2009-05-18 10:21:28 as
	Anharmonic force field and equilibrium structure of nitric acid [My Copy] Journal of Molecular Spectroscopy, Vol. 254, No. 2. (April 2009), pp. 99-107. by C. Gutle, J. Demaison, H. D. Rudolph posted to anharmonic hno3 nitric-acid by Gershom on 2009-04-10 18:06:13 as
	Quantitative analysis of Fermi resonances by harmonic derivatives of perturbation theory corrections [My Copy] Molecular Physics, Vol. 99999, No. 1. (2009), pp. 1-10. by Devin A. Matthews, John F. Stanton posted to anharmonic boy devin fermi genius resonance the by Gershom on 2009-03-13 20:26:56 as
	Unified Treatment of Even and Odd Anharmonic Oscillators of Arbitrary Degree [My Copy] Physical Review Letters, Vol. 102, No. 1. (8 January 2009), 011601. by Ulrich D. Jentschura, Andrey Surzhykov, Jean Z. Justin posted to analytic anharmonic dispersion model oscillator overview relation symmetry by michaelbussmann on 2009-01-11 11:36:33 as
	Collisionless Laser-Energy Conversion by Anharmonic Resonance [My Copy] Physical Review Letters, Vol. 101, No. 22. (26 November 2008), 225002. by P. Mulser, D. Bauer, H. Ruhl posted to anharmonic collisionless conversion density energy femtosecond ion laser phase-shift plasma potential pulse resonance by michaelbussmann on 2008-11-26 20:10:40 as
	First-order anharmonic correction to the free energy of a Coulomb crystal in periodic boundary conditions [My Copy] Physical Review A, Vol. 42, No. 8. (15 October 1990), pp. 4972-4982. by Daniel H. Dubin posted to analytic anharmonic boundary correction coulomb crystal energy first free model order periodic by michaelbussmann to the group Crystallization of Classical One-Component-Plasmas on 2008-10-30 14:45:25 as
	A General Scheme for Construction of Coherent States of Anharmonic Oscillators [My Copy] (26 Jun 2007) by Marcin Molski posted to anharmonic coherent by itmeson on 2007-06-28 14:28:41 as

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Tag anharmonic [16 articles] Export Sort

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