D. Feil

发表

Synthesis and thermodynamic characteristics of LaSrNiO4

Kevin Range, N. I. Matskevicha, F. Kuznetsov, 1998 .

Self-complexation of macrocyclic polyethers studied by carbon-13 NMR longitudinal relaxation time measurements and molecular mechanics

D. Reinhoudt, P. Grootenhuis, J. V. Eerden, 1987 .

Molecular-dynamics simulation of crystalline 18-crown-6: thermal shortening of covalent bonds

J. V. Eerden, D. Feil, S. Harkema, 1990 .

Raman spectra of zinc phthalocyanine monolayers adsorbed on glassy carbon and gold electrodes by application of a confocal Raman microspectrometer

G. Puppels, B. Pałys, D. V. D. Ham, 1992 .

X-ray diffraction and the potential distribution in crystals

D. Feil, 1996 .

A molecular mechanics study of 18-crown-6 and its complexes with neutral organic molecules

J. Uiterwijk, D. Feil, S. Harkema, 1987 .

Molecular dynamics of 18-crown-6 complexes with alkali-metal cations: calculation of relative free energies of complexation

J. V. Eerden, D. Feil, S. Harkema, 1988 .

The Polyhedral Clathrate Hydrates, Part 2. Structure of the Hydrate of Tetra Iso‐Amyl Ammonium Fluoride

G. A. Jeffrey, D. Feil, 1961 .

Electrostatic molecular interaction from X-ray diffraction data. I. Development of the method; test on pyrazine

D. Feil, G. Moss, 1981 .

A local density‐functional study of the electron density distribution in the H2O dimer

D. Feil, M. Krijn, 1988 .

The electron density distribution in the hydrogen bond. A quantum chemical and crystallographic study

D. Feil, 1990 .

Basis set effects on the electron density and spectroscopic properties of CO

E. Baerends, D. Sundholm, P. Boerrigter, 1985 .

The crystal structure of urea oxalic acid (2:1)

J. Bats, D. Feil, S. Harkema, 1972 .

The tertiary amino effect in heterocyclic synthesis : mechanistic and computational study of the formation of six-membered rings

D. Reinhoudt, W. Verboom, W. Nijhuis, 1988 .

Molecular dynamics of 18‐crown‐6 complexes with alkali–metal cations and urea: Prediction of their conformations and comparison with data from the cambridge structural database

D. Feil, E. T. H. Leuwerink, S. Harkema, 1993, J. Comput. Chem..

Crystal structure and charge distribution of pyrazine: effects of extinction, thermal diffuse scattering and series termination

D. Feil, S. Harkema, 1976 .

The Past and Future of Experimental Charge Density Analysis

P. Coppens, D. Feil, 1991 .

The crystal structure of urea nitrate

D. Feil, S. Harkema, 1969 .

An application of the Miertus‐Scrocco‐Tomasi solvation model in molecular mechanics and dynamics simulations

Alexandre Varnek, D. Feil, Georges Wipff, 1995, J. Comput. Chem..

From wave function to crystal morphology: application to urea and alpha-glycine

E. Boek, W. Briels, P. Bennema, 1991 .

X-ray scattering and the chemical bond in N2 and CN

J. Zeevalkink, D. Feil, P. Groenewegen, 1971 .

The crystal structure of urea oxalic acid (2:1): a correction

J. Bats, D. Feil, S. Harkema, 1973 .

Semi-empirical calculations on the structure of the uronium ion

D. Feil, S. Harkema, 1972 .

THE MOLECULAR AND CRYSTAL STRUCTURE OF (+)-MIANSERIN HYDROBROMIDE

D. Feil, C. Ru, 1973 .

Electrochemical reduction of aza aromatics. Part I. Polarographic reduction of aromatic di‐aza compounds and correlation of results with H.M.O. calculations

D. Feil, D. Meer, 2010 .

Structure and electron density distribution of the nitrate ion and urea molecule upon protonation

G. Velders, D. Feil, 1992 .

Polarization of the water molecule. Analysis of the changes in the electron density distribution

D. Feil, M. Krijn, 1987 .

Molecular-dynamics simulations of interfaces between water and crystalline urea

E. Boek, W. Briels, J. V. Eerden, 1992 .

Molecular charge distribution of CO

D. Feil, 1975 .

The molecular electron density distribution meeting place of X-ray diffraction and quantum chemistry intermediate - between theory and experiment

D. Feil, 1992 .

The electron density distribution in CN−, LiCN and LiNC. The use of minimal and extended basis set SCF calculations

J. Bats, D. Feil, 1977 .

A comparison of the theoretical and experimental electron density distribution in the cyanide and thiocyanate group

J. Bats, D. Feil, 1977 .

Charge distribution in the nitrate ion

E. Baerends, D. Feil, 1975 .

Uncoupled Hartree–Fock calculations of the polarizability and hyperpolarizabilities of nitrophenols

R. Bursi, M. Lankhorst, D. Feil, 1995, J. Comput. Chem..

Electron density distributions in hydrogen bonds: A local density‐functional study of α‐oxalic acid dihydrate and comparison with experiment

D. Feil, M. Krijn, 1988 .

Accuracy of various approximations to exchange and correlation for the electron density distribution in atoms and small molecules

D. Feil, M. Krijn, 1988 .

Resonance Raman spectra of phthalocyanine monolayers on different supports. A normal mode analysis of zinc phthalocyanine by means of the MNDO method

W. Briels, B. Pałys, D. V. D. Ham, 1995 .

Preliminary X-Ray Data on Phenothiazine and Certain of its Derivatives

D. Feil, J. McDowell, M. H. LINCK, 1965, Nature.

II. Diffraction Physics

D. Feil, 1977 .

The structure of NH4F as determined by neutron and X‐ray diffraction

D. Feil, H. Adrian, 1969 .

CHARGE DENSITY STUDY WITH THE MAXIMUM ENTROPY METHOD ON MODEL DATA OF SILICON. A SEARCH FOR NON-NUCLEAR ATTRACTORS

W. Briels, E. Baerends, G. T. Velde, 1996 .

The shielding of external electric fields in atoms revisited

D. Feil, 1988 .

Novel treatment of the experimental data in the application of the maximum-entropy method to the determination of the electron-density distribution from X-ray experiments

W. Briels, D. Feil, R. D. Vries, 1994 .

Comment on The crystal and molecular structure of phenothiazine, by J. J. H. McDowell

B. W. V. D. Waal, D. Feil, 1977 .

X-ray and Electron Diffraction Study of MgO

E. Belokoneva, V. Tsirelson, D. Feil, 1998 .

Monoclonal antibodies to steroid hormone receptors provide a sensitive tool for characterizing and comparing receptor struc

Christine, Péter, D. Feil, 2006 .

Project on comparison of structural parameters and electron density maps of oxalic acid dihydrate

P. Coppens, J. Dam, D. Feil, 1984 .

POTENTIAL OF MEAN FORCE BY THERMODYNAMIC INTEGRATION: MOLECULAR-DYNAMICS SIMULATION OF DECOMPLEXATION

Dirk Feil, W. Briels, J. V. Eerden, 1989 .

Electrostatic interactions in host‐guest complexes 2

H. Bruning, D. Feil, D. Feil, 1990 .

Hydrogen Bonds in NH4F and NH4HF2 Crystals. Comparison of Electron Density Distribution Obtained by X-ray Diffraction and by Quantum Chemistry

D. Feil, S. J. V. Reeuwijk, and Kai G. van Beek, 2000 .

Modelling of the diffusion of carbon dioxide in polyimide matrices by computer simulation

C. A. Smolders, M. Mulder, J. V. Eerden, 1992 .

An analysis of the electron density distribution in the free and polarized H2O molecule as calculated in the local density approximation

D. Feil, M. Krijn, 1986 .

Comparison of the Hartree-Fock, Møller-Plesset, and Hartree-Fock-Slater method with respect to electrostatic properties of small molecules

Guus J. M. Velders, Dirk Feil, G. Velders, 1993 .

Electrostatic interactions in host–guest complexes. I

D. Feil, H. Bruning, 1989 .

X-ray diffraction and charge distribution. Application to the electron density distribution in the hydrogen bond

D. Feil, 1991 .

The influence of intermolecular interactions on the electron-density distribution. A comparison of experimental and theoretical results for a-oxalic acid dihydrate

H. Graafsma, D. Feil, P. Krijn, 1988 .

The electron density of a-Oxalic acid dihydrate at 100 K by X-ray diffraction: a contribution to the IUCr Commission on Charge, Spin and Momentum Densities project on the accurate determination of electron densities

J. Dam, D. Feil, S. Harkema, 1983 .

Effect of electron correlation on the electron density distribution and (hyper)polarizability of molecules

G. Velders, D. Feil, 1992 .

Electron density analysis of nonlinear optical materials. An ab initio study of different conformations of benzene derivatives

G. Velders, D. Feil, J. Gillet, 1991 .

Photoelectron spectra of fluorine substituted diazanaphthalenes: “Even cases”

M. Beerlage, D. V. D. Ham, D. Feil, 1975 .

Photoelectron spectra of fluorine-substituted diazabenzenes

D. V. D. Ham, D. Feil, D. Meer, 1974 .

Calculation of the Hyperpolarizabilities of Silicon-Based Donor−Acceptor Compounds for Nonlinear Optics

G. Hadziioannou, D. Feil, P. Vanhutten, 1996 .

Critical Points in a Crystal and Procrystal

U. Pietsch, E. Belokoneva, V. Tsirelson, 1998 .

Quantum chemical and experimental study of urea

V. Tsirelson, V. Zavodnik, D. Feil, 1996 .

Bonded hydrogen and hydrogen bonding in reciprocal space. Simulation of diffraction by a water molecule and dimer

D. Feil, G. Poorthuis, 1994 .

Interfaces between a saturated aqueous urea solution and crystalline urea : A molecular dynamics study

E. Boek, W. Briels, D. Feil, 1994 .

Calculation of the electron density distribution in silicon by the density-functional method. Comparison with X-ray results

G. Velders, D. Feil, 1989 .

IX. Experimental Problems

D. Feil, 1977 .