D. Santry

发表

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

J. Pople, G. Segal, D. Santry, 1965 .

SCF perturbation calculations on metalloporphyrins

J. Fuhrhop, D. Santry, J. Subramanian, 1986, Proceedings / Indian Academy of Sciences.

Calculation of molecular geometries by SCF perturbation theory

D. Santry, S. O'shea, 1973 .

The spectroscopy of flames, 2nd edn. : A.G. Gaydon, Chapman and Hall, London, 1974, pp. xii + 412, price £8.00

D. Santry, 1976 .

Molecular orbital theory of nuclear spin-coupling constants: implications for fluorine couplings

D. Santry, A. Blizzard, 1970 .

Molecular orbital theory of carbon–fluorine nuclear spin coupling constants: application to fluorinated methanes

D. Santry, A. Blizzard, 1970 .

Self‐Consistent Perturbation Theory of Nuclear Spin‐Coupling Constants: Application to Couplings Involving Carbon and Fluorine

D. Santry, A. Blizzard, 1971 .

Approximate Self‐Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through Chlorine

G. Segal, D. Santry, 1967 .

Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory

D. Santry, T. Raidy, 1979 .

Calculation of frequency-dependent polarizabilities by means of SCF perturbation theory

D. Santry, T. Raidy, 1979 .

The singular points of frequency‐dependent polarizabilities from time‐dependent Hartree–Fock theory

D. Santry, 1979 .

Coupled Hartree-Fock calculations of molecular hyperpolarizabilities

D. Santry, T. Raidy, 1978 .

AB initio calculations for the 3d-exponent of phosphorus and sulphur

D. Santry, M. Keeton, 1970 .

CNDO Molecular‐Orbital Theory of Molecular Spectra. I. The Virtual‐Orbital Approximation to Excited States

H. Kroto, D. Santry, 1967 .

Molecular packing in crystals of the aromatic hydrocarbons

R. Mason, D. Santry, D. Craig, 1965, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

Nonempirical molecular orbital calculations for hydrogen bonded molecular solids: Molecular dipole and quadrupole moments for solid HF and HCl

D. Santry, S. Anderson, 1981 .

Vibrational contribution to molecular polarizabilities and hyperpolarizabilities

D. Santry, P. Pandey, 1980 .

Calculations of second-order TDHF equations for ammonia

D. Santry, T. Raidy, 1979 .

Application of second-order SCF perturbation theory to the solution of time-dependent Hartree—Fock equations

D. Santry, 1979 .

Application of SCF perturbation theory to the study of tetrahedrally bonded valence crystals

D. Santry, M. Hashimoto, 1978 .

Application of SCF perturbation theory to molecular calculations

D. Santry, 1976 .

Non-empirical molecular orbital theory of the electronic structure of molecular crystals

D. Santry, S. O'shea, 1975 .

Non-Empirical Molecular Orbital Theory for Molecular Crystals

D. Santry, 1975 .

Self consistent field perturbation theory for Frenkel and charge transfer states of hydrogen bonded crystals

D. Santry, K. M. Middlemiss, 1974 .

Molecular orbital theory for infinite molecular aggregates: Application to idealized hexagonal and cubic ices

D. Santry, R. Crowe, 1973 .

Band structure calculations for ethylene and urea

D. Santry, K. M. Middlemiss, 1973 .

CNDO Molecular‐Orbital Theory of Molecular Spectra. III. Calculations for the Fluorosulfate Radical

G. W. King, D. Santry, C. Warren, 1969 .

Semiempirical Molecular‐Orbital Theory of Molecular Spectra. II. Approximate Open‐Shell Theory

H. Kroto, D. Santry, 1967 .

CNDO-2 calculations of the electronic structure of the guanine-cytosine base pair: proton transfer in excited states.

D. Santry, A. Blizzard, 1969, Journal of theoretical biology.

The fluorosulfate radical: Structural theory and assignment of electronic absorption systems

G. W. King, D. Santry, C. Warren, 1969 .

Molecular orbital theory of nuclear spin coupling constants

J. Pople, D. Santry, 1964 .

Complete neglect of differential overlap calculations on second-row molecules

D. Santry, 1968 .

Syntheses, crystal structures, and density functional theory calculations of the closo-[1-M(CO)(3)(eta(4)-E(9))](4-) (E = Sn, Pb; M = Mo, W) cluster anions and solution NMR spectroscopic characterization of [1-M(CO)(3)(eta(4)-Sn(9))](4-) (M = Cr, Mo, W).

D. Dixon, D. Santry, G. Schrobilgen, 2002, Inorganic chemistry.

Syntheses, Crystal Structures, and Density Functional Theory Calculations of the closo-[1-M(CO)3(η4-E9)]4- (E: Sn, Pb; M: Mo, W) Cluster Anions and Solution NMR Spectroscopic Characterization of [1-M(CO)3(η4-Sn9)]4- (M: Cr, Mo, W).

D. Dixon, D. Santry, G. Schrobilgen, 2002 .

The structure of the Se4 2+ ion

R. Gillespie, I. Brown, D. Santry, 1968 .

Geometries and charge distributions of organic ligands. I. Metal-carbon .pi. bonding and the geometry of acetylene

D. Santry, A. Blizzard, 1968 .

Molecular‐Orbital Theory for Infinite Systems: Regular Polymer Chains

D. Santry, S. O'shea, 1971 .

Erratum: Self‐consistent perturbation theory of nuclear spin‐coupling constants: Application to couplings involving fluorine

D. Santry, A. Blizzard, 1973 .

A Molecular Orbital Theory of Optical Rotatory Strengths of Molecules

Y. Pao, D. Santry, 1966 .

Molecular orbital calculations for norbornene and some related nonclassical intermediates

D. Santry, H. Ohorodnyk, 1969 .

A molecular orbital theory of hydrocarbons: III. Nuclear spin coupling constants

J. Pople, D. Santry, 1965 .

Calculations on the photodissociation of acetone

D. Santry, A. Yarwood, G. M. White, 1972 .

Intermolecular charge transfer in molecular crystals

D. Santry, K. M. Middlemiss, 1974 .

Molecular Orbital Theory for Infinite Systems: Hydrogen‐Bonded Molecular Crystals

D. Santry, J. Bacon, 1972 .

Intermolecular forces in crystals of the aromatic hydrocarbons

R. Mason, D. Santry, P. Dobosh, 1965 .

A molecular orbital theory of hydrocarbons

J. Pople, D. Santry, J. A. Pople, 1965 .

A symmetry problem in polymer calculations

D. Santry, S. O'shea, 1974 .

Molecular orbital theory for nonregular polymer chains: Distortions of an infinite chain of hydrogen molecules

D. Santry, S. O'shea, 1977 .

Density of states plots for hydrogen bonded crystals: Results for formamide, formic acid and urea crystals

D. Santry, K. M. Middlemiss, 1974 .

A molecular orbital theory of hydrocarbons: II. Ethane, ethylene and acetylene

J. Pople, D. Santry, 1965 .