검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
Vibration-Rotation-Tunneling Levels of the Water Dimer from an ab Initio Potential Surface with Flexible Monomers Leforestier C, van Harrevelt R, van der Avoird A Journal of Physical Chemistry A, 113(44), 12285, 2009 |
| 2 |
Quantum mechanical calculations for the H2O+h nu -> O(D-1)+H-2 photodissociation process van Harrevelt R, van Hemert MC Journal of Physical Chemistry A, 112(14), 3002, 2008 |
| 3 |
Thermochemistry and accurate quantum reaction rate calculations for H-2/HD/D-2 + CH3 Nyman G, van Harrevelt R, Manthe U Journal of Physical Chemistry A, 111(41), 10331, 2007 |
| 4 |
Predicting catalysis: Understanding ammonia synthesis from first-principles calculations Hellman A, Baerends EJ, Biczysko M, Bligaard T, Christensen CH, Clary DC, Dahl S, van Harrevelt R, Honkala K, Jonsson H, Kroes GJ, Luppi M, Manthe U, Norskov JK, Olsen RA, Rossmeisl J, Skulason E, Tautermann CS, Varandas AJC, Vincent JK Journal of Physical Chemistry B, 110(36), 17719, 2006 |
| 5 |
Quantitative spectroscopic and theoretical study of the optical absorption spectra of H2O, HOD, and D2O in the 125-145 nm region Cheng BM, Chung CY, Bahou M, Lee YP, Lee LC, van Harrevelt R, van Hemert MC Journal of Chemical Physics, 120(1), 224, 2004 |
| 6 |
Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of H-2 on Cu(100) van Harrevelt R, Manthe U Journal of Chemical Physics, 121(8), 3829, 2004 |
| 7 |
Degeneracy in discrete variable representations: General considerations and application to the multiconfigurational time-dependent Hartree approach van Harrevelt R, Manthe U Journal of Chemical Physics, 121(12), 5623, 2004 |
| 8 |
Photodissociation of warm water: ab initio calculations of the room-temperature absorption spectrum van Harrevelt R, van Hemert MC Chemical Physics Letters, 370(5-6), 706, 2003 |
| 9 |
The CH+H reaction studied with quantum-mechanical and classical trajectory calculations van Harrevelt R, van Hemert MC, Schatz GC Journal of Chemical Physics, 116(14), 6002, 2002 |
| 10 |
Photodissociation of water in the (A)over-tilde band revisited with new potential energy surfaces van Harrevelt R, van Hemert MC Journal of Chemical Physics, 114(21), 9453, 2001 |