| 1 |
Computational chemistry of polyatomic reaction kinetics and dynamics: The quest for an accurate CH5 potential energy surface
Albu TV, Espinosa-Garcia J, Truhlar DG
Chemical Reviews, 107(11), 5101, 2007 |
| 2 |
Performance of hybrid density functional theory methods toward oxygen electroreduction over platinum
Albu TV, Mikel SE
Electrochimica Acta, 52(9), 3149, 2007 |
| 3 |
Association Patterns in (HF)(m)(H2O)(n) (m plus n=2-8) Clusters
Baburao B, Visco DP, Albu TV
Journal of Physical Chemistry A, 111(32), 7940, 2007 |
| 4 |
Hybrid density functional theory with specific reaction parameter: Hydrogen abstraction reaction of fluoromethane by the hydroxyl radical
Albu TV, Swaminathan S
Journal of Physical Chemistry A, 110(24), 7663, 2006 |
| 5 |
Efficient molecular mechanics for chemical reactions: Multiconfiguration molecular mechanics using partial electronic structure hessians
Lin H, Pu JZ, Albu TV, Truhlar DG
Journal of Physical Chemistry A, 108(18), 4112, 2004 |
| 6 |
Dynamics of 1,2-hydrogen migration in carbenes and ring expansion in cyclopropylcarbenes
Albu TV, Lynch BJ, Truhlar DG, Goren AC, Hrovat DA, Borden WT, Moss RA
Journal of Physical Chemistry A, 106(21), 5323, 2002 |
| 7 |
Dopants in diamond nanoparticles and bulk diamond density functional study of substitutional B, N, P, SB, S, PN, O, NN, and interstitial H
Albu TV, Anderson AB, Angus JC
Journal of the Electrochemical Society, 149(5), E143, 2002 |
| 8 |
Studies of model dependence in an ab initio approach to uncatalyzed oxygen reduction and the calculation of transfer coefficients
Albu TV, Anderson AB
Electrochimica Acta, 46(19), 3001, 2001 |
| 9 |
Molecular mechanics for chemical reactions: A standard strategy for using multiconfiguration molecular mechanics for variational transition state theory with optimized multidimensional tunneling
Albu TV, Corchado JC, Truhlar DG
Journal of Physical Chemistry A, 105(37), 8465, 2001 |
| 10 |
Catalytic effect of platinum on oxygen reduction - An ab initio model including electrode potential dependence
Anderson AB, Albu TV
Journal of the Electrochemical Society, 147(11), 4229, 2000 |
