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Similar articles for PubMed (Select 19371124)

1.

Ab initio wavenumber accurate spectroscopy: 1CH2 and HCN vibrational levels on automatically generated IMLS potential energy surfaces.

Dawes R, Wagner AF, Thompson DL.

J Phys Chem A. 2009 Apr 23;113(16):4709-21. doi: 10.1021/jp900409r.

PMID:
19371124
2.
3.

Interpolating moving least-squares methods for fitting potential energy surfaces: an application to the H2CN unimolecular reaction.

Guo Y, Harding LB, Wagner AF, Minkoff M, Thompson DL.

J Chem Phys. 2007 Mar 14;126(10):104105.

PMID:
17362059
4.

Potential-energy surface for the electronic ground state of NH3 up to 20,000 cm-1 above equilibrium.

Yurchenko SN, Zheng J, Lin H, Jensen P, Thiel W.

J Chem Phys. 2005 Oct 1;123(13):134308.

PMID:
16223289
6.

Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.

Czakó G, Braams BJ, Bowman JM.

J Phys Chem A. 2008 Aug 14;112(32):7466-72. doi: 10.1021/jp803318a. Epub 2008 Jul 24.

PMID:
18651724
7.

CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.

Barletta P, Shirin SV, Zobov NF, Polyansky OL, Tennyson J, Valeev EF, Császár AG.

J Chem Phys. 2006 Nov 28;125(20):204307.

PMID:
17144700
8.

High-level ab initio potential energy surfaces and vibrational energies of H2CS.

Yachmenev A, Yurchenko SN, Ribeyre T, Thiel W.

J Chem Phys. 2011 Aug 21;135(7):074302. doi: 10.1063/1.3624570.

PMID:
21861565
9.

A classical trajectory study of the intramolecular dynamics, isomerization, and unimolecular dissociation of HO2.

Perry JW, Dawes R, Wagner AF, Thompson DL.

J Chem Phys. 2013 Aug 28;139(8):084319. doi: 10.1063/1.4818879. Erratum in: J Chem Phys. 2013 Oct 21;139(15):159903.

PMID:
24007009
10.

Interpolating moving least-squares methods for fitting potential energy surfaces: a strategy for efficient automatic data point placement in high dimensions.

Dawes R, Thompson DL, Wagner AF, Minkoff M.

J Chem Phys. 2008 Feb 28;128(8):084107. doi: 10.1063/1.2831790.

PMID:
18315033
11.

Ab initio potential energy and dipole moment surfaces of (H2O)2.

Huang X, Braams BJ, Bowman JM.

J Phys Chem A. 2006 Jan 19;110(2):445-51.

PMID:
16405316
12.

CO dimer: new potential energy surface and rovibrational calculations.

Dawes R, Wang XG, Carrington T Jr.

J Phys Chem A. 2013 Aug 15;117(32):7612-30. doi: 10.1021/jp404888d. Epub 2013 Jun 28.

PMID:
23738948
13.

Interpolating moving least-squares methods for fitting potential energy surfaces: using classical trajectories to explore configuration space.

Dawes R, Passalacqua A, Wagner AF, Sewell TD, Minkoff M, Thompson DL.

J Chem Phys. 2009 Apr 14;130(14):144107. doi: 10.1063/1.3111261.

PMID:
19368429
14.

Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl.

Sharma AR, Braams BJ, Carter S, Shepler BC, Bowman JM.

J Chem Phys. 2009 May 7;130(17):174301. doi: 10.1063/1.3120607.

PMID:
19425770
15.

Nitrous oxide dimer: a new potential energy surface and rovibrational spectrum of the nonpolar isomer.

Dawes R, Wang XG, Jasper AW, Carrington T Jr.

J Chem Phys. 2010 Oct 7;133(13):134304. doi: 10.1063/1.3494542.

PMID:
20942536
16.

Interpolating moving least-squares methods for fitting potential energy surfaces: Improving efficiency via local approximants.

Guo Y, Tokmakov I, Thompson DL, Wagner AF, Minkoff M.

J Chem Phys. 2007 Dec 7;127(21):214106.

PMID:
18067348
17.

Vibrational energies of PH3 calculated variationally at the complete basis set limit.

Ovsyannikov RI, Thiel W, Yurchenko SN, Carvajal M, Jensen P.

J Chem Phys. 2008 Jul 28;129(4):044309. doi: 10.1063/1.2956488.

PMID:
18681648
18.

Vibration energy levels of the PH3, PH2D, and PHD2 molecules calculated from high order potential energy surface.

Nikitin AV, Holka F, Tyuterev VG, Fremont J.

J Chem Phys. 2009 Jun 28;130(24):244312. doi: 10.1063/1.3156311.

PMID:
19566158
19.

Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations.

Tasinato N, Regini G, Stoppa P, Pietropolli Charmet A, Gambi A.

J Chem Phys. 2012 Jun 7;136(21):214302. doi: 10.1063/1.4720502.

PMID:
22697538
20.

A hierarchical family of three-dimensional potential energy surfaces for He-CO.

Peterson KA, McBane GC.

J Chem Phys. 2005 Aug 22;123(8):084314. Erratum in: J Chem Phys. 2006 Jun 14;124(22):229901.

PMID:
16164298
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