Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Results: 1 to 20 of 255

1.

Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method.

Meng Q, Faraji S, Vendrell O, Meyer HD.

J Chem Phys. 2012 Oct 7;137(13):134302. doi: 10.1063/1.4755372.

PMID:
23039594
[PubMed - indexed for MEDLINE]
2.

A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations.

Meng Q, Meyer HD.

J Chem Phys. 2013 Jan 7;138(1):014313. doi: 10.1063/1.4772779.

PMID:
23298047
[PubMed]
3.

Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.

Faraji S, Meyer HD, Köppel H.

J Chem Phys. 2008 Aug 21;129(7):074311. doi: 10.1063/1.2958918.

PMID:
19044771
[PubMed - indexed for MEDLINE]
4.

Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations.

Faraji S, Köppel H.

J Chem Phys. 2008 Aug 21;129(7):074310. doi: 10.1063/1.2958915.

PMID:
19044770
[PubMed - indexed for MEDLINE]
5.

MCTDH study on vibrational states of the CO/Cu(100) system.

Meng Q, Meyer HD.

J Chem Phys. 2013 Oct 28;139(16):164709. doi: 10.1063/1.4826258.

PMID:
24182066
[PubMed]
6.
7.
8.

A full-dimensional coupled-surface study of the photodissociation dynamics of ammonia using the multiconfiguration time-dependent Hartree method.

Giri K, Chapman E, Sanz CS, Worth G.

J Chem Phys. 2011 Jul 28;135(4):044311. doi: 10.1063/1.3614038.

PMID:
21806123
[PubMed]
9.

Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine.

Vendrell O, Meyer HD.

J Chem Phys. 2011 Jan 28;134(4):044135. doi: 10.1063/1.3535541.

PMID:
21280715
[PubMed]
10.
11.
12.

Vibrational spectra and trace determination of p-difluorobenzene and ethylbenzene.

Wang J, Zhu R, Qin C, Wang Y, Zhang S, Zhang B.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Apr 15;107:1-7. doi: 10.1016/j.saa.2013.01.043. Epub 2013 Jan 26.

PMID:
23416902
[PubMed - indexed for MEDLINE]
13.
14.

Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2(-) complex.

Peláez D, Sadri K, Meyer HD.

Spectrochim Acta A Mol Biomol Spectrosc. 2014 Feb 5;119:42-51. doi: 10.1016/j.saa.2013.05.008. Epub 2013 May 21.

PMID:
23831046
[PubMed - indexed for MEDLINE]
15.

Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation.

Faraji S, Köppel H.

J Chem Phys. 2012 Dec 14;137(22):22A531. doi: 10.1063/1.4746159.

PMID:
23249068
[PubMed]
16.

Vibrational dynamics of the H5(+) and its isotopologues from multiconfiguration time-dependent Hartree calculations.

Valdés Á, Prosmiti R, Delgado-Barrio G.

J Chem Phys. 2012 Dec 7;137(21):214308. doi: 10.1063/1.4769081.

PMID:
23231232
[PubMed]
17.

Theoretical study of excitations in furan: spectra and molecular dynamics.

Gromov EV, Trofimov AB, Vitkovskaya NM, Köppel H, Schirmer J, Meyer HD, Cederbaum LS.

J Chem Phys. 2004 Sep 8;121(10):4585-98.

PMID:
15332889
[PubMed]
18.

Simulation of a complex spectrum: interplay of five electronic states and 21 vibrational degrees of freedom in C5H4 +.

Markmann A, Worth GA, Mahapatra S, Meyer HD, Köppel H, Cederbaum LS.

J Chem Phys. 2005 Nov 22;123(20):204310.

PMID:
16351259
[PubMed]
19.

A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces.

Manthe U.

J Chem Phys. 2008 Apr 28;128(16):164116. doi: 10.1063/1.2902982.

PMID:
18447430
[PubMed]
20.

Multi-state multi-mode nuclear dynamics on three isomers of C6H4F2+ using parallelized TDDVR approach.

Sardar S, Puzari P, Adhikari S.

Phys Chem Chem Phys. 2011 Sep 21;13(35):15960-72. doi: 10.1039/c1cp20525k. Epub 2011 Aug 8.

PMID:
21826347
[PubMed]

Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Supplemental Content

Write to the Help Desk