검색결과 : 114건
No. | Article |
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1 |
Electronic Structure and Properties of Berkelium Iodates Silver MA, Cary SK, Garza AJ, Baumbach RE, Arico AA, Galmin GA, Chen KW, Johnson JA, Wang JC, Clark RJ, Chemey A, Eaton TM, Marsh ML, Seidler K, Galley SS, van de Burgt L, Gray AL, Hobart DE, Hanson K, Van Cleve SM, Gendron F, Autschbach J, Scuseria GE, Maron L, Speldrich M, Kogerler P, Celis-Barros C, Paez-Hernandez D, Arratia-Perez R, Ruf M, Albrecht-Schmitt TE Journal of the American Chemical Society, 139(38), 13361, 2017 |
2 |
The isotropic molecular polarizabilities of single methyl-branched alkanes in the terahertz range Nickel DV, Garza AJ, Scuseria GE, Mittleman DM Chemical Physics Letters, 592, 292, 2014 |
3 |
Developments in Theoretical Chemistry Mccoy AB, Scuseria GE Journal of Physical Chemistry A, 118(10), 1759, 2014 |
4 |
Stability of Hemi-Bonded vs Proton-Transferred Structures of (H2O)(2)(+), (H2S)(2)(+), and (H2Se)(2)(+) Studied with Projected Hartree-Fock Methods Stein T, Jimenez-Hoyos CA, Scuseria GE Journal of Physical Chemistry A, 118(35), 7261, 2014 |
5 |
Polyradical Character and Spin Frustration in Fullerene Molecules: An Ab Initio Non-Collinear Hartree-Fock Study Jimenez-Hoyos CA, Rodriguez-Guzman R, Scuseria GE Journal of Physical Chemistry A, 118(42), 9925, 2014 |
6 |
Can Short- and Middle-Range Hybrids Describe the Hyperpolarizabilities of Long-Range Charge-Transfer Compounds? Garza AJ, Wazzan NA, Asiri AM, Scuseria GE Journal of Physical Chemistry A, 118(50), 11787, 2014 |
7 |
Assessment of long-range corrected functionals for the prediction of non-linear optical properties of organic materials Garza AJ, Scuseria GE, Khan SB, Asiri AM Chemical Physics Letters, 575, 122, 2013 |
8 |
Density Functional Theory Studies of the Electronic Structure of Solid State Actinide Oxides Wen XD, Martin RL, Henderson TM, Scuseria GE Chemical Reviews, 113(2), 1063, 2013 |
9 |
Predicting Singlet-Triplet Energy Splittings with Projected Hartree-Fock Methods Rivero P, Jimenez-Hoyos CA, Scuseria GE Journal of Physical Chemistry A, 117(33), 8073, 2013 |
10 |
Entanglement and Polyradical Character of Polycyclic Aromatic Hydrocarbons Predicted by Projected Hartree-Fock Theory Rivero P, Jimenez-Hoyos CA, Scuseria GE Journal of Physical Chemistry B, 117(42), 12750, 2013 |