H. Kurtz

发表

Proton Mobility in a-SiO,

Henry A. Kurtz, H. Kurtz, Shashi P. Kamd, 1999 .

Proton mobility in a-SiO/sub 2/

H. A. Kurtz, S. Karna, H. Kurtz, 1999 .

The effect of network topology on proton trapping in amorphous SiO/sub 2/

A. Pineda, S. Karna, R. Pugh, 2001 .

Microscopic mechanisms of electron trapping by self-trapped holes and protons in amorphous SiO/sub 2/

R. Pugh, W. Shedd, H. Kurtz, 2000 .

Calculation of vibrational dynamic hyperpolarizabilities for H2O, CO2, and NH3

D. M. Bishop, B. Kirtman, J. Rice, 1993 .

Elementary finite order perturbation theory for vertical ionization energies

H. Kurtz, Y. Öhrn, G. Born, 1978 .

Calculation of electron binding energies

H. Kurtz, 1978 .

The effect of near-interface network strain on proton trapping in SiO/sub 2/

D. Fleetwood, S. Karna, P. Korambath, 1999 .

Antonio M. Ferreira, H. Kurtz, Nicholas P. Labello, 2006 .

Quantum mechanical characterization of E'-type centers in a -SiO x films

S. Karna, H. Kurtz, 1999 .

Excited states via the AGP polarization propagator. I. Application to Li2

H. Kurtz, O. Goscinski, N. Elander, 1984 .

Role of bond coordination and molecular volume on the dielectric constant of mixed-oxide compounds

R. Devine, H. Kurtz, 2001 .

Theoretical studies of positron complexes with atomic anions

K. Jordan, H. Kurtz, 1980 .

The polarization propagator based on an agp state: Theory and application to the helium atom

H. Kurtz, Hans Jørgen Aagaard Jensen, B. Weiner, 2009 .

On the calculation of generalized antisymmetric geminal power (GAGP) wavefunctions

H. Kurtz, N. Elander, 2009 .

On the energy optimization of the AGP wavefunction. The ground state of the Be atom

H. Kurtz, O. Goscinski, N. Elander, 2009 .

The antisymmetrized geminal power approximation to the excitation propagator

H. Kurtz, B. Weiner, 1985 .

Theory and Calculations on Small Molecules Using Propagator Methods with an AGP Reference

H. Kurtz, Y. Öhrn, B. Weiner, 1985 .

Application of AGP wave functions to the ground states of Li2 and CH

H. Kurtz, O. Goscinski, N. Elander, 1983 .

Intermolecular Effects on Third Order Nonlinear Optical Properties

D. Dudis, H. Kurtz, A. T. Yeates, 1992 .

Excited state properties utilizing effective core potentials

H. Kurtz, Patricia A. Kilzer, 1987 .

The use of semiempirical energy partitioning terms in the study of through space (homoaromatic) interactions

H. Kurtz, R. V. Williams, B. Farley, 1988 .

Infrared spectra, photochemistry, and ab initio calculations of matrix isolated methanethiol/sulfur dioxide complex

P. Korambath, H. Kurtz, S. Li, 2000 .

Theoretical study of low-energy electron and positron scattering on Be, Mg and Ca

K. Jordan, H. Kurtz, 1981 .

Calculation ofP2shape resonances in Be and Mg

H. Kurtz, Y. Öhrn, 1979 .

Surfactin-like structures of five cyclic depsipeptides from the marine isolate ofBacillus pumilus

Ya. V. Rashkes, Yu. M. Mil'grom, G. B. Elyakov, 1995 .

Modeling Intermolecular Effects on Nonlinear Optical Properties of Transition-Metal Complexes. An Effective Core Potential Study

Thomas R. Cundari, Tie Zhou, Henry A. Kurtz, 2001, J. Chem. Inf. Comput. Sci..

Modeling Nonlinear Optical Properties of Transition Metal Complexes. Basis Set, Effective Core Potential, and Geometry Effects

T. Cundari, H. Kurtz, Tie Zhou, 1998 .

ANNELATED SEMIBULLVALENES : A THEORETICAL STUDY OF HOW THEY COPE WITH STRAIN

P. Schleyer, H. Kurtz, H. Jiao, 1997 .

A theoretical investigation of through-space interactions. Part 3. A semiempirical study of the Cope rearrangement in singly annellated semibullvalenes

H. Kurtz, R. V. Williams, 1994 .

Calculation of the nonlinear optical properties of molecules

James J. P. Stewart, Henry A. Kurtz, J. Stewart, 1990 .

Theoretical studies of positron–molecule complexes

K. Jordan, H. Kurtz, 1981 .

Ab initio study of the positron affinity of LiH

K. Jordan, H. Kurtz, 1978 .

Application of electronic structure and transition state theory: Reaction of hydrogen with silicon radicals

Lonnie D. Crosby, H. Kurtz, 2006 .

Hydrogen Cracking in SiO 2 : Kinetics for H 2 Dissociation at Silicon Dangling Bonds †

S. Karna, H. Kurtz, 2000 .

An analysis of the AGP and projected AGP wavefunctions

H. Kurtz, O. Goscinski, N. Elander, 2009 .

Experimental evidence establishing an upper limit to the activation barrier for the butterfly bending of the double bond in anti-sesquinorbornene.

H. Kurtz, T. Harris, R. V. Williams, 1988 .

Quantum Mechanical Methods for Predicting Nonlinear Optical Properties

D. Dudis, H. Kurtz, 2007 .

New fundamental defects in a-SiO/sub 2/

S. Karna, R. Pugh, W. Shedd, 1999 .

Theoretical study of [F−; e+] and [CN−; e+]

K. Jordan, H. Kurtz, 1978 .

Treatment of resonances with the dilated electron propagator: The 2P shape resonance in e‐Mg scattering

H. Kurtz, O. Goscinski, M. Mishra, 1983 .

A comparison of the positron energy levels of (F-; e+) and (CN-; e+) with the Rydberg levels of Na and NO

K. Jordan, H. Kurtz, 1979 .

POINT DEFECTS IN Si-SiO 2 SYSTEMS: CURRENT UNDERSTANDING

A. Pineda, S. Karna, R. Pugh, 2000 .

Properties of the X 1Σ state of BF

K. Jordan, H. Kurtz, 1981 .

An augmented effective core potential basis set for the calculation of molecular polarizabilities

Henry A. Kurtz, Antonio M. Ferreira, Nicholas P. Labello, 2005, J. Comput. Chem..

Calculation of the amplitudes to the electron propagator from a minimal basis CI calculation on N2

G. D. Purvis, H. Kurtz, Y. Ǒhrn, 2009 .

Computational Study of Polarizabilities and Second Hyperpolarizabilities of Inorganic Transition Metal Thiometalates and Metalates in Solution

T. Cundari, H. Kurtz, Tie Zhou, 2000 .

Annelated Semibullvalenes: A Theoretical Study of How They “Cope” with Strain

P. Schleyer, H. Kurtz, H. Jiao, 1997 .

The quest for a neutral homoaromatic hydrocarbon. A study of pentacyclo[7.2.1.04,11.06,9.06,10]dodeca-1,4-diene, an annelated semibullvalene derivative

H. Kurtz, R. V. Williams, 1988 .

Semiempirical calculation of the hyperpolarizabilities of polyenes

H. Kurtz, 1990 .

An NMR and computational study of diazepinediones

H. Kurtz, Farhad Sayyarpour, P. K. Bridson, 1989 .