G. Gallup

发表

Iterative calculation of eigenvalues and eigenvectors of large, real matrix systems with overlap

G. Gallup, 1982 .

Chemical Reactions near Equilibrium

G. Gallup, W. Gilkerson, M. Jones, 1952 .

Scattering Of Chiral Electrons By Chiral Molecules

G. Gallup, M. E. Johnston, K. Trantham, 1996 .

Quantum-Mechanical Definition of Atoms and Chemical Bonds in Molecules

P. W. Langhoff, G. Gallup, J. Boatz, 2015 .

Vibrational Feshbach resonances in uracil and thymine.

T. Märk, S. Denifl, P. Scheier, 2006, The Journal of chemical physics.

Valence Bond Methods

G. Gallup, 2002 .

The CRUNCH Suite of Atomic and Molecular Structure Programs

G. Gallup, J. Mills, 2012 .

Population analyses of valence-bond wavefunctions and BeH2

G. Gallup, J. Norbeck, 1973 .

Hydrogen Bond Energies in Carboxylic Acids

G. Gallup, W. Gilkerson, M. Jones, 1952 .

A Special Case of the Hammett Equation

G. Gallup, W. Gilkerson, M. Jones, 1954 .

Are there pi* shape resonances in electron scattering from phosphate groups?

A. Modelli, G. Gallup, P. Burrow, 2008, The journal of physical chemistry. A.

The n-electron problem and matrices representing the symmetric groups

G. Gallup, 1972 .

Hybridization and the interaction of diabatic states

G. Gallup, 1988 .

Complex energy shift and background phase shift for simulated electron-molecular shape resonances

G. Gallup, 2005 .

The Scattering of Longitudinally Polarized Electrons from Chiral Molecules and Optical Rotatory Power

G. Gallup, 1994 .

A lowest-order theory of vibrational excitation of polyatomic molecules upon resonant electron impact. Vibrational excitation in CH3Cl

G. Gallup, 1993 .

The relationship of the virtual orbitals of self‐consistent‐field theory to temporary negative ions in electron scattering from molecules

G. Gallup, Donghai Chen, 1990 .

A theory of low-energy electron impact excitation of dipole-allowed molecular vibrations. An application to acetylene, C2H2

G. Gallup, 1990 .

Orientation and bonding of biphenyldimethyldithiol

G. Gallup, P. Dowben, A. Caruso, 2004 .

Magnetoelectric effect in one-dimensional metallic conductors

R. Hardy, G. Gallup, D. Sellmyer, 1975 .

Valence-Bond calculations and matrix elements between two tableau functions of non-orthogonal orbitals

G. Gallup, 1972 .

A lower bound on the eigenvalues of certain hamiltonian matrices

G. Gallup, 1972 .

Factorization of the secular determinant by constants of the motion

G. Gallup, 1968 .

Spin-exchange-induced circularly polarized molecular fluorescence.

G. Gallup, T. Gay, M. Rosenberry, 2004, Physical review letters.

Dechlorination Rate Constants on Iron and the Correlation with Electron Attachment Energies

G. Gallup, P. Burrow, A. Aflatooni, 2000 .

Valence-bond calculation of the symmetric dissociation of BeH2

G. Gallup, J. Norbeck, 1973 .

Projected Hartree Product Wavefunctions. II. General Considerations of Young Operators

G. Gallup, 1969 .

Transformation of spin projected slater determinants under orbital permutation

G. Gallup, 1982 .

A double self‐consistent‐field method for electron correlation: Applications to LiH, H2O, and cyclopropane

G. Gallup, A. Liakus, 1977 .

Temporary anion states of selected amino acids

B. Hitt, G. Gallup, K. Aflatooni, 2001 .

Low energy electron impact excitation of dipole allowed vibrations in CO and CO2

G. Gallup, 1990 .

Stable negative ions and shape resonances in a series of organic molecules.

G. Gallup, 2013, The Journal of chemical physics.

Gas-Phase Reactivity of Polycyclic Aromatic Hydrocarbon Radical Cations with Compounds that are Models of DNA Bases

M. Gross, G. Gallup, A. B. Whitehill, 1995 .

Temporary anion states of three herbicide families.

G. Gallup, K. Aflatooni, A. Scheer, 2014, The journal of physical chemistry. A.

Electronic structure of the 6+6 dimer of tropone

G. Gallup, R. Gleiter, B. Kahr, 2006 .

The structures of c-C4F8 and c-C4F8- and the adiabatic electron affinity of c-C4F8

G. Gallup, 2004 .

Electron-Induced Bond Breaking at Low Energies in HCOOH and Glycine: The Role of Very Short-Lived σ* Anion States

G. Gallup, I. Fabrikant, P. Burrow, 2009 .

The application of zero-range potentials to the electronic properties of footballene, C60

G. Gallup, 1991 .

The full versus the virtual counterpoise correction for basis set superposition error in self-consistent field calculations

J. Collins, G. Gallup, 1986 .

Theory and applications of an atoms in molecules approach to the Xα‐SCF method

G. Gallup, C. Eckhardt, R. J. Hood, 1977 .

The first‐row hydrides and influences of orbital scaling on formally charged valence bond structures

G. Gallup, J. Norbeck, 2009 .

A mechanism for hydrogen scrambling in ionized benzene

M. Gross, G. Gallup, David Steinheider, 1976 .

Temporary Anion States of c loso -Carboranes and Diethyl Carborane

G. Gallup, K. Aflatooni, P. Burrow, 2002 .

Structure of CH2

G. Gallup, 1957 .

Matrix elements and eigenfunctions of multidimensional oscillators by operational methods. Part I. Two dimensional isotropic harmonic oscillator

G. Gallup, 1959 .

Theoretical potential curves for excited states of ArH and the rate of collisional quenching of metastable Ar by H

G. Gallup, R. Vance, 1980 .

An investigation of electron helicity density in bromocamphor and dibromocamphor as a source of electron circular dichroism

G. Gallup, T. Gay, A. Scheer, 2006 .

Assignments of normally unoccupied orbitals to the temporary negative ion states of several lanthanide NMR shift reagents and comments on resonance involvement in electron circular dichroism.

G. Gallup, T. Gay, A. Scheer, 2008, The journal of physical chemistry. A.

Semiempirical R-matrix theory of low energy electron-CF3Cl inelastic scattering

G. Gallup, I. Fabrikant, R. Wilde, 1999 .

Dissociative electron attachment in nonplanar chlorocarbons with pi*/sigma*-coupled molecular orbitals.

G. Gallup, K. Aflatooni, P. Burrow, 2010, The Journal of chemical physics.

Unoccupied orbital energies of 1,4-benzenedithiol and the HOMO–LUMO gap

G. Gallup, A. Scheer, P. Burrow, 2008 .

Total dissociative electron attachment cross sections of selected amino acids.

G. Gallup, A. Scheer, P. Burrow, 2007, The Journal of chemical physics.

Remote bond breaking by interacting temporary anion states.

G. Gallup, P. Burrow, 2006, The Journal of chemical physics.

Dissociative electron attachment near threshold, thermal attachment rates, and vertical attachment energies of chloroalkanes

G. Gallup, K. Aflatooni, P. Burrow, 2003 .

ELECTRON ATTACHMENT ENERGIES OF THE DNA BASES

G. Gallup, K. Aflatooni, Kayvan Aflatooni, 1998 .

Energy surfaces in the cyclopropane radical ion and the photoelectron spectrum of cyclopropane

J. Collins, G. Gallup, 1982 .

Resonances and threshold effects in low-energy electron collisions with methyl halides

G. Gallup, I. Fabrikant, 2007 .

Comparative studies of dissociative electron attachment to methyl halides

G. Gallup, I. Fabrikant, R. Wilde, 1999 .

Self-consistent-field calculation of nitrosyl hydride and nitrogen hydroxide

G. Gallup, 1975 .

Valence-bond calculation of energy curves for XeH+

G. Gallup, J. Macek, 1977 .

Targeted correlation and the S0 surface of formaldehyde

G. Gallup, R. Vance, 1981 .

Angular momentum in n-dimensional spaces

G. Gallup, 1959 .

Electron tunneling, charge transfer, and the intermolecular forces between two H2 molecules

G. Gallup, 1977 .

Nonlocal theory of dissociative electron attachment to H 2 and HF molecules

G. Gallup, I. Fabrikant, Yinfan Xu, 1997 .

Errors in the application of the JWKB method to calculating the survival factor in dissociative electron attachment using the local complex potential.

G. Gallup, 2007, The Journal of chemical physics.

Bond breaking and temporary anion states in uracil and halouracils: implications for the DNA bases.

G. Gallup, K. Aflatooni, A. Scheer, 2004, Physical review letters.

Contributions to interatomic and intermolecular forces: II. Interaction energy of two He atoms

J. Collins, G. Gallup, 1983 .

Dissociative electron attachment in chloroalkanes and the correlation with vertical attachment energies

G. Gallup, K. Aflatooni, P. Burrow, 1998 .

LOW ENERGY ELECTRON SCATTERING FROM CH3CL

G. Gallup, X. Shi, P. Burrow, 1996 .

Dissociative attachment studies of halogen-containing molecules: problems, applications and challenges

G. Gallup, K. Jordan, I. Fabrikant, 1996 .

Dissociative attachment in hot CH 3 Cl: Experiment and theory

G. Gallup, I. Fabrikant, P. Burrow, 1995 .

Practical Valence-Bond Calculations

J. R. Collins, J. M. Norbeck, J. Collins, 1982 .

Hydrogen loss in aminobutanoic acid isomers by the σ* resonance formed in electron capture

S. Denifl, P. Scheier, G. Gallup, 2012 .

Dissociative electron attachment to uracil deuterated at the N1 and N3 positions

G. Gallup, K. Aflatooni, A. Scheer, 2005 .

Symmetry selection rules for vibrational excitation by resonant electron impact and a unified treatment of vibronic coupling between resonances and to the continuum: A complete symmetry analysis of vibrational excitation in benzene

G. Gallup, 1993 .

A variation‐perturbation method for atomic and molecular interactions. I. Theory

G. Gallup, J. Gerratt, 1985 .

A variation‐perturbation method for atomic and molecular interactions. II. The interaction potential and van der Waals molecule for Ne–HF

G. Gallup, J. Gerratt, 1985 .

SELF-CONSISTENT FIELD CALCULATION OF NITROSYL HYDRIDE AND NITROGEN HYDROXIDE

G. Gallup, 1975 .

Application of the finite-element-discrete-model method for calculating resonance properties

G. Gallup, 2011 .

Vibrational Feshbach resonances in dissociative electron attachment to uracil

G. Gallup, I. Fabrikant, 2011 .

Dissociative electron attachment to CH2Cl2, CHCH3Cl2, and C(CH3)2Cl2.

G. Gallup, I. Fabrikant, 2011, The Journal of chemical physics.

Scattering and bound-state solutions to the wave equation for one electron in the presence of a physical dipole

G. Gallup, 2009 .

Symmetries of n‐electron wave functions under various spatial groups

G. Gallup, 1974 .

The Symmetric Groups and Calculation of Energies of n-Electron Systems in Pure Spin States

G. Gallup, 1973 .

On the Symmetry of Slater Determinantal Wavefunctions

G. Gallup, 1966 .

Contributions to interatomic and intermolecular forces

G. Gallup, 1983 .

Comment on ‘Dynamics of formation of anthracene anions in molecular clouds and protoplanetary atmospheres’

G. Gallup, P. Burrow, 2014 .

Reply to “does the boys and bernardi function counterpoise method actually overcorrect the basis set superposition error?”

J. Collins, G. Gallup, 1986 .

Valence-bond calculation of the electronic structure of benzene

J. M. Norbeck, G. A. Gallup, G. Gallup, 1974 .

Semiclassical propagation method for tunneling ionization

G. Gallup, I. Fabrikant, 2009 .

Effect of Change in Moment of Inertia on Line Intensities of Parallel Vibration-Rotation Bands of Symmetric Top Molecules

J. Koenig, G. Gallup, 1959 .

Quantum-mechanical analysis of a longitudinal Stern-Gerlach effect.

G. Gallup, T. Gay, H. Batelaan, 2001, Physical review letters.

A generalized method for the superposition of resonance structures

J. Collins, G. Gallup, 1991 .

Projected Hartree Product Wavefunctions. III. Comparison with the CI Method for H2

R. C. Morrison, G. Gallup, 1969 .

Semiclassical complex-time method for tunneling ionization: Molecular suppression and orientational dependence

G. Gallup, I. Fabrikant, 2010 .

Atomic spectral-product representations of molecular electronic structure: metric matrices and atomic-product composition of molecular eigenfunctions.

P. W. Langhoff, G. Gallup, M. Ben‐Nun, 2009, The journal of physical chemistry. A.

Dissociative electron attachment to vibrationally and rotationally excited H 2 and HF molecules

G. Gallup, I. Fabrikant, Yinfan Xu, 2000 .

The Separable Approximation in Multichannel Electron-Molecule Collisions

G. Gallup, J. Macek, 1979 .

Dissociative Attachment in CH3Cl and C2H5Cl: Experiment and Theory

G. Gallup, I. Fabrikant, P. Burrow, 1994 .

Projected Hartree Product Wavefunctions. V. Density Matrices and Operators Containing Spin

G. Gallup, 1970 .

Projected Hartree product wavefunctions. VI. Natural orbital CI expansions in nonsinglet cases

R. D. Koller, G. Gallup, 1973 .

Efficient CI calculations utilizing the symmetric group

G. Gallup, J. Norbeck, 1976 .

The intermolecular potential and its angular dependence for two H2 molecules

G. Gallup, 1977 .

Orientation and Bonding of 4,4'-Biphenyldiisocyanide

G. Gallup, P. Dowben, A. Caruso, 2004 .

A Short History of Valence Bond Theory

G. Gallup, 2002 .

Chapter 1 - A short history of VB theory

G. Gallup, 2002 .

Effect of Change in Moment of Inertia on the Intensity Distribution in P and R branches of C∞v Molecules

G. Gallup, 1957 .

Valence Bond Methods: Theory and Applications

G. Gallup, Gordon A Gallup, 2002 .

Free Energy and Entropy of Translation Tables

G. Gallup, P. Gilles, 1953 .

Ab initio valence bond calculation of benzene

G. Gallup, J. Norbeck, 1973 .

The C6 coefficients for NeHF. Improved polarizabilities and dispersion coefficients by a simple level-shifting technique

G. Gallup, J. Gerratt, G. A. Gallup, 1984 .

Projected Hartree Product Wavefunctions. II. General Considerations of Young Operators

G. Gallup, 1969 .

Projected Hartree Product Wavefunctions. V. Density Matrices and Operators Containing Spin

G. Gallup, 1970 .

Projected Hartree Product Wavefunctions

G. Gallup, 1968 .

Theory and applications

Ron Shamir, Chaim Linhart, R. Shamir, 2004 .

Dissociative electron attachment to uracil deuterated at the N 1 and N 3 positions

G. Gallup, A. Scheer, P. Burrow, 2017 .

Valence Bond Methods

G. Gallup, 2002 .

Projected Hartree Product Wavefunctions. IV. Radial Correlation in Some Three- and Four- Electron Atoms

G. Gallup, L. G. Heikes, 1970 .

Projected Hartree product wavefunctions. VIII. Relationship of DODS and SCF orbitals for Be

G. Gallup, 1973 .

Self‐Consistent‐Field Calculation of the Energy of HeH+

G. Gallup, M. S. McKnight, 1966 .