화학공학소재연구정보센터
검색결과 : 114건
No. Article
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