Scuseria GE - Search Results

1

Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions.

Improta R, Kudin KN, Scuseria GE, Barone V. Improta R, et al. Among authors: scuseria ge. J Am Chem Soc. 2002 Jan 9;124(1):113-20. doi: 10.1021/ja011704r. J Am Chem Soc. 2002. PMID: 11772068

2

Structure and conformational behavior of biopolymers by density functional calculations employing periodic boundary conditions. I. The case of polyglycine, polyalanine, and poly-alpha-aminoisobutyric acid in vacuo.

Improta R, Barone V, Kudin KN, Scuseria GE. Improta R, et al. Among authors: scuseria ge. J Am Chem Soc. 2001 Apr 11;123(14):3311-22. doi: 10.1021/ja003680e. J Am Chem Soc. 2001. PMID: 11457067

3

Thermochemistry of fluorinated single wall carbon nanotubes.

Bettinger HF, Kudin KN, Scuseria GE. Bettinger HF, et al. Among authors: scuseria ge. J Am Chem Soc. 2001 Dec 26;123(51):12849-56. doi: 10.1021/ja010977j. J Am Chem Soc. 2001. PMID: 11749543

4

A finite temperature linear tetrahedron method for electronic structure calculations of periodic systems.

Yazyev OV, Brothers EN, Kudin KN, Scuseria GE. Yazyev OV, et al. Among authors: scuseria ge. J Chem Phys. 2004 Aug 8;121(6):2466-70. doi: 10.1063/1.1768165. J Chem Phys. 2004. PMID: 15281843

5

Revisiting infinite lattice sums with the periodic fast multipole method.

Kudin KN, Scuseria GE. Kudin KN, et al. Among authors: scuseria ge. J Chem Phys. 2004 Aug 15;121(7):2886-90. doi: 10.1063/1.1771634. J Chem Phys. 2004. PMID: 15291598

6

Hybrid density-functional theory and the insulating gap of UO2.

Kudin KN, Scuseria GE, Martin RL. Kudin KN, et al. Among authors: scuseria ge. Phys Rev Lett. 2002 Dec 23;89(26):266402. doi: 10.1103/PhysRevLett.89.266402. Epub 2002 Dec 9. Phys Rev Lett. 2002. PMID: 12484842

7

Lattice defects and magnetic ordering in plutonium oxides: a hybrid density-functional-theory study of strongly correlated materials.

Prodan ID, Scuseria GE, Sordo JA, Kudin KN, Martin RL. Prodan ID, et al. Among authors: scuseria ge. J Chem Phys. 2005 Jul 1;123(1):014703. doi: 10.1063/1.1953427. J Chem Phys. 2005. PMID: 16035859

8

Coaxial carbon nanotubes as shielded nanowires.

Brothers EN, Scuseria GE, Kudin KN. Brothers EN, et al. Among authors: scuseria ge. J Chem Phys. 2006 Jan 28;124(4):041101. doi: 10.1063/1.2149850. J Chem Phys. 2006. PMID: 16460142

9

Longitudinal polarizability of carbon nanotubes.

Brothers EN, Scuseria GE, Kudin KN. Brothers EN, et al. Among authors: scuseria ge. J Phys Chem B. 2006 Jul 6;110(26):12860-4. doi: 10.1021/jp0603839. J Phys Chem B. 2006. PMID: 16805583

10

Doping of polyaniline by acid-base chemistry: density functional calculations with periodic boundary conditions.

Varela-Alvarez A, Sordo JA, Scuseria GE. Varela-Alvarez A, et al. Among authors: scuseria ge. J Am Chem Soc. 2005 Aug 17;127(32):11318-27. doi: 10.1021/ja051012t. J Am Chem Soc. 2005. PMID: 16089461

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