검색결과 : 35건
| No. | Article |
|---|---|
| 1 |
Hybrid ADFT Study of the C-104 and C-106 IPR Isomers Perez-Figueroa SE, Calaminici P, Koster AM Journal of Physical Chemistry A, 123(21), 4565, 2019 |
| 2 |
Evolution of the Spin Magnetic Moments and Atomic Valence of Vanadium in VCux+, VAgx+, and VAux+ Clusters (x=3-14) Blades WH, Reber AC, Khanna SN, Lopez-Sosa L, Calaminici P, Koster AM Journal of Physical Chemistry A, 121(15), 2990, 2017 |
| 3 |
Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P Chemical Physics Letters, 635, 168, 2015 |
| 4 |
Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015) Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P Chemical Physics Letters, 636, 228, 2015 |
| 5 |
Efficient Calculation of the Rotational g Tensor from Auxiliary Density Functional Theory Zuniga-Gutierrez B, Camacho-Gonzalez M, Simon-Bastida P, Bendana-Castillo A, Calaminici P, Koster AM Journal of Physical Chemistry A, 119(9), 1469, 2015 |
| 6 |
Transition-State Searches in Metal Clusters by First-Principle Methods Cruz-Olvera D, Vasquez AD, Geudtner G, Vasquez-Perez JM, Calaminici P, Koster AM Journal of Physical Chemistry A, 119(9), 1494, 2015 |
| 7 |
Nature of Valence Transition and Spin Moment in AgnV+ Clusters Medel VM, Reber AC, Chauhan V, Sen P, Koster AM, Calaminici P, Khanna SN Journal of the American Chemical Society, 136(23), 8229, 2014 |
| 8 |
Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P-4 and adamantane Shedge SV, Pal S, Koster AM Chemical Physics Letters, 552, 146, 2012 |
| 9 |
Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability Shedge SV, Pal S, Koster AM Chemical Physics Letters, 510(4-6), 185, 2011 |
| 10 |
On the Ground State of Pd-13 Koster AM, Calaminici P, Orgaz E, Roy DR, Reveles JU, Khanna SN Journal of the American Chemical Society, 133(31), 12192, 2011 |