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Showing results 1 to 8 of 8

1
A delicate electronic balance between metal and ligand in [Cu-P-Cu-P] diamondoids: Oxidation state dependent plasticity and the formation of a singlet diradicaloid

Rhee, Young Min; Head-Gordon, Martin, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.130, no.12, pp.3878 - 3887, 2008-03

2
An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Moller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis

Distasio, Robert A., Jr.; Steele, Ryan P.; Rhee, Young Min; Shao, Yihan; Head-Gordon, Martin, JOURNAL OF COMPUTATIONAL CHEMISTRY, v.28, no.5, pp.839 - 856, 2007-04

3
Analytical gradient of restricted second-order Moller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex

Rhee, Young Min; DiStasio, Robert A., Jr.; Lochan, Rohini C.; Head-Gordon, Martin, CHEMICAL PHYSICS LETTERS, v.426, no.1-3, pp.197 - 203, 2006-07

4
Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission

Rhee, Young Min; Lee, Timothy J.; Gudipati, Murthy S.; Allamandola, Louis J.; Head-Gordon, Martin, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.104, no.13, pp.5274 - 5278, 2007-03

5
Performance of Quasi-Degenerate Scaled Opposite Spin Perturbation Corrections to Single Excitation Configuration Interaction for Excited State Structures and Excitation Energies with Application to the Stokes Shift of 9-Methyl-9,10-dihydro-9-silaphenanthrene

Rhee, Young Min; Casanova, David; Head-Gordon, Martin, JOURNAL OF PHYSICAL CHEMISTRY A, v.113, no.39, pp.10564 - 10576, 2009-10

6
Quartic-Scaling Analytical Gradient of Quasidegenerate Scaled Opposite Spin Second-Order Perturbation Corrections to Single Excitation Configuration Interaction

Rhee, Young Min; Casanova, David; Head-Gordon, Martin, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.5, no.5, pp.1224 - 1236, 2009-05

7
Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

Casanova, David; Rhee, Young Min; Head-Gordon, Martin, JOURNAL OF CHEMICAL PHYSICS, v.128, no.16, 2008-04

8
Scaled second-order perturbation corrections to configuration interaction singles: Efficient and reliable excitation energy methods

Rhee, Young Min; Head-Gordon, Martin, JOURNAL OF PHYSICAL CHEMISTRY A, v.111, no.24, pp.5314 - 5326, 2007-06

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