Year |
Citation |
Score |
2009 |
Kurtz H, Purvis G, Ǒhrn Y. Calculation of the amplitudes to the electron propagator from a minimal basis CI calculation on N2 International Journal of Quantum Chemistry. 10: 331-336. DOI: 10.1002/qua.560100837 |
0.324 |
|
2006 |
Labello NP, Ferreira AM, Kurtz HA. Utilizing relativistic effective core potentials for accurate calculations of molecular polarizabilities on transition metal compounds. The Journal of Physical Chemistry. A. 110: 13507-13. PMID 17165877 DOI: 10.1021/Jp0611121 |
0.736 |
|
2006 |
Crosby LD, Kurtz HA. Silicon radicals in silicon oxynitride: a theoretical ESR study. The Journal of Physical Chemistry. A. 110: 8637-44. PMID 16836424 DOI: 10.1021/Jp060117V |
0.68 |
|
2006 |
Crosby LD, Kurtz HA. Application of electronic structure and transition state theory: Reaction of hydrogen with silicon radicals International Journal of Quantum Chemistry. 106: 3149-3159. DOI: 10.1002/Qua.21154 |
0.705 |
|
2006 |
Labello NP, Ferreira AM, Kurtz HA. Correlated, relativistic, and basis set limit molecular polarizability calculations to evaluate an augmented effective core potential basis set International Journal of Quantum Chemistry. 106: 3140-3148. DOI: 10.1002/Qua.21129 |
0.746 |
|
2005 |
Labello NP, Ferreira AM, Kurtz HA. An augmented effective core potential basis set for the calculation of molecular polarizabilities. Journal of Computational Chemistry. 26: 1464-71. PMID 16088928 DOI: 10.1002/Jcc.20282 |
0.738 |
|
2001 |
Cundari TR, Kurtz HA, Zhou T. Modeling intermolecular effects on nonlinear optical properties of transition-metal complexes. An effective core potential study. Journal of Chemical Information and Computer Sciences. 41: 38-42. PMID 11206380 DOI: 10.1021/Ci0000530 |
0.301 |
|
2000 |
Karna SP, Kurtz HA, Shedd WM, Pugh RD. Microscopic mechanisms of electron trapping by self-trapped holes and protons in amorphous SiO 2 Ieee Transactions On Nuclear Science. 47: 2311-2315. DOI: 10.1109/23.903770 |
0.345 |
|
2000 |
Ferreira AM, Kurtz HA, Karna SP. Structure and nonlinear optical properties of cationic defects in amorphous silicon dioxide. 1. Cluster studies Journal of Physical Chemistry A. 104: 4796-4800. DOI: 10.1021/Jp993802T |
0.31 |
|
2000 |
Kurtz HA, Karna SP. Hydrogen cracking in SiO2: Kinetics for H2 dissociation at silicon dangling bonds Journal of Physical Chemistry A. 104: 4780-4784. |
0.305 |
|
1999 |
Karna SP, Kurtz HA. Quantum mechanical characterization of E′-type centers in a-SiOx films Microelectronic Engineering. 48: 109-112. DOI: 10.1016/S0167-9317(99)00349-4 |
0.387 |
|
1998 |
Cundari TR, Kurtz HA, Zhou T. Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects The Journal of Physical Chemistry A. 102: 2962-2966. DOI: 10.1021/Jp980438+ |
0.332 |
|
1998 |
Cundari TR, Kurtz HA, Zhou T. Modeling nonlinear optical properties of transition metal complexes. Basis set, effective core potential, and geometry effects Journal of Physical Chemistry A. 102: 2962-2966. |
0.328 |
|
1997 |
Jiao H, Nagelkerke R, Kurtz HA, Williams RV, Borden WT, Von Ragué Schleyer P. Annelated semibullvalenes: A theoretical study of how they 'cope' with strain Journal of the American Chemical Society. 119: 5921-5929. DOI: 10.1021/Ja963165+ |
0.363 |
|
1994 |
Williams RV, Kurtz HA. A theoretical investigation of through-space interactions. Part 3. A semiempirical study of the cope rearrangement in singly annellated semibullvalenes Journal of the Chemical Society, Perkin Transactions 2. 147-150. DOI: 10.1039/P29940000147 |
0.337 |
|
1993 |
Bishop DM, Kirtman B, Kurtz HA, Rice JE. Calculation of vibrational dynamic hyperpolarizabilities for H2O, CO2, and NH3 The Journal of Chemical Physics. 98: 8024-8030. DOI: 10.1063/1.464556 |
0.433 |
|
1993 |
Bishop DM, Kirtman B, Kurtz HA, Rice JE. Calculation of vibrational dynamic hyperpolarizabilities for H 2O, CO2, and NH3 The Journal of Chemical Physics. 98: 8024-8030. |
0.327 |
|
1992 |
Dudis DS, Yeates AT, Kurtz HA. Intermolecular Effects on Third Order Nonlinear Optical Properties Mrs Proceedings. 247. DOI: 10.1557/Proc-247-93 |
0.468 |
|
1992 |
Pluta T, Kurtz HA. An MSSCF study of the electric properties of the Be atom Chemical Physics Letters. 189: 255-258. DOI: 10.1016/0009-2614(92)85135-W |
0.419 |
|
1990 |
Kurtz HA. Semiempirical calculation of the hyperpolarizabilities of polyenes International Journal of Quantum Chemistry. 38: 791-798. DOI: 10.1002/Qua.560382477 |
0.34 |
|
1990 |
Kurtz HA, Stewart JJP, Dieter KM. Calculation of the nonlinear optical properties of molecules Journal of Computational Chemistry. 11: 82-87. DOI: 10.1002/Jcc.540110110 |
0.421 |
|
1989 |
Bridson PK, Kurtz HA, Sayyarpour F. An NMR and computational study of diazepinediones Journal of Molecular Structure: Theochem. 199: 175-181. DOI: 10.1016/0166-1280(89)80049-1 |
0.398 |
|
1988 |
Williams RV, Sung CLA, Kurtz HA, M. Harris T. Experimental evidence establishing an upper limit to the activation barrier for the butterfly bending of the double bond in anti-sesquinorbornene Tetrahedron Letters. 29: 19-20. DOI: 10.1016/0040-4039(88)80004-2 |
0.311 |
|
1987 |
Kilzer PA, Kurtz HA. Excited state properties utilizing effective core potentials International Journal of Quantum Chemistry. 32: 539-545. DOI: 10.1002/Qua.560320753 |
0.39 |
|
1984 |
Sangfelt E, Kurtz HA, Elander N, Goscinski O. Excited states via the AGP polarization propagator. I. Application to Li2 The Journal of Chemical Physics. 81: 3976-3986. DOI: 10.1063/1.448138 |
0.402 |
|
1984 |
Kurtz HA. LUMO energies and negative electron affinities Journal of Chemical Education. 61: 580-581. DOI: 10.1021/Ed061P580 |
0.397 |
|
1983 |
Mishra M, Kurtz HA, Goscinski O, Öhrn Y. Treatment of resonances with the dilated electron propagator: The2Pshape resonance ine‐Mg scattering The Journal of Chemical Physics. 79: 1896-1902. DOI: 10.1063/1.445967 |
0.374 |
|
1982 |
Kurtz HA, Elander N. On the calculation of generalized antisymmetric geminal power (GAGP) wavefunctions International Journal of Quantum Chemistry. 22: 605-614. DOI: 10.1002/Qua.560220852 |
0.304 |
|
1981 |
Kurtz HA, Jordan KD. Theoretical study of low-energy electron and positron scattering on Be, Mg and Ca Journal of Physics B: Atomic and Molecular Physics. 14: 4361-4376. DOI: 10.1088/0022-3700/14/22/019 |
0.309 |
|
1981 |
Kurtz HA, Jordan KD. Theoretical studies of positron-molecule complexes The Journal of Chemical Physics. 75: 1876-1887. DOI: 10.1063/1.442211 |
0.362 |
|
1981 |
Kurtz HA, Jordan KD. Properties of the X 1Σ state of BF Chemical Physics Letters. 81: 104-109. DOI: 10.1016/0009-2614(81)85336-5 |
0.346 |
|
1981 |
Kurtz HA, Elander N, Goscinski O, Sangfelt E. On the energy optimization of the AGP wavefunction. The ground state of the Be atom International Journal of Quantum Chemistry. 20: 143-149. DOI: 10.1002/Qua.560200815 |
0.332 |
|
1980 |
Kurtz HA, Jordan KD. Theoretical studies of positron complexes with atomic anions The Journal of Chemical Physics. 72: 493-503. DOI: 10.1063/1.438933 |
0.329 |
|
1980 |
Kurtz HA, Jordan KD. Comment on the electronic structure of HAlOH and H2O.Al Journal of the American Chemical Society. 102: 1177-1178. DOI: 10.1021/Ja00523A052 |
0.328 |
|
1979 |
Kurtz HA, Öhrn Y. Calculation of P2 shape resonances in Be and Mg Physical Review A. 19: 43-48. DOI: 10.1103/Physreva.19.43 |
0.369 |
|
1978 |
Kurtz HA, Jordan KD. Ab initio study of the positron affinity of LiH Journal of Physics B: Atomic and Molecular Physics. 11. DOI: 10.1088/0022-3700/11/16/001 |
0.317 |
|
1978 |
Kurtz HA, Öhrn Y. On the calculation of electron binding energies The Journal of Chemical Physics. 69: 1162-1167. DOI: 10.1063/1.436703 |
0.437 |
|
1978 |
Born G, Kurtz HA, Öhrn Y. Elementary finite order perturbation theory for vertical ionization energies The Journal of Chemical Physics. 68: 74-85. DOI: 10.1063/1.435475 |
0.396 |
|
1978 |
Kurtz HA, Jordan KD. Theoretical study of [F−; e+] and [CN−; e+] International Journal of Quantum Chemistry. 14: 747-755. DOI: 10.1002/Qua.560140607 |
0.329 |
|
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