| 1 |
Corrosion inhibitors - Part II: Quantum chemical studies on the corrosion inhibitions of steel in acidic medium by some triazole, oxadiazole and thiadiazole derivatives
El Ashry ESH, El Nemr A, Esawy SA, Ragab S
Electrochimica Acta, 51(19), 3957, 2006 |
| 2 |
What is the best alternative to diagonalization of the Hamiltonian in large scale semiempirical calculations?
Daniels AD, Scuseria GE
Journal of Chemical Physics, 110(3), 1321, 1999 |
| 3 |
Study of excess silicon at Si3N4 thermal SiO2 interface using ellipsometric measurements
Gritsenko VA, Svitasheva SN, Petrenko IP, Wong H, Xu JB, Wilson IH
Journal of the Electrochemical Society, 146(2), 780, 1999 |
| 4 |
Modern molecular mechanics and ab initio calculations on benzylic and cyclic delocalized cations
Reindl B, Clark T, Schleyer PV
Journal of Physical Chemistry A, 102(45), 8953, 1998 |
| 5 |
Semiempirical Methods with Conjugate-Gradient Density-Matrix Search to Replace Diagonalization for Molecular-Systems Containing Thousands of Atoms
Daniels AD, Millam JM, Scuseria GE
Journal of Chemical Physics, 107(2), 425, 1997 |
| 6 |
Interconversion and Rearrangement of the Radical Cations of Methylenecyclopropane, 1,4-bis(Methylene)Cyclohexane, Tricyclo(2.2.2.0(1,4))Octane, Dispiro(2.0.2.2)Octane, and Dispiro(2.1.2.1)Octane .1. Theoretical-Studies
Delijser HJ, Arnold DR
Journal of Physical Chemistry, 100(10), 3996, 1996 |
| 7 |
Site of Protonation and Proton Affinity of Acrylamide - A Theoretical-Study
Lin CK, Chen SY, Lien MH
Journal of Physical Chemistry, 99(5), 1454, 1995 |
| 8 |
Improving Flc Properties - Simplicity, Planarity, and Rigidity in New Chiral Oxazoline Derivatives
Serrano JL, Sierra T, Gonzalez Y, Bolm C, Weickhardt K, Magnus A, Moll G
Journal of the American Chemical Society, 117(32), 8312, 1995 |
