A. Hansen

发表

The Molecular Magnetic Shielding Field: Response Graph Illustrations of the Benzene Field†

M. Jensen, A. Hansen, 1999 .

Ab initio study of the Pauling-London-Pople (ring current) effect: LORG calculation and analysis of the NMR shielding tensors in a Sondheimer aromatic annulene and a non-aromatic analogue

M. Bilde, A. Hansen, 1997 .

NMR shielding calculations beyond coupled Hartree—Fock: second-order correlation effects in localized-orbital/local-origin calculations of molecules containing phosphorus☆

A. Hansen, T. D. Bouman, 1990 .

Chromophores in spectroscopy: Ab initio studies of localized descriptions of molecular electronic excitations

A. Hansen, T. D. Bouman, 1992 .

A comparison of the IGLO and LORG methods for the calculations of nuclear magnetic shieldings

J. Facelli, D. Grant, A. Hansen, 1990 .

AB initio calculations of oscillator and rotatory strengths in the random-phase approximation: planar and twisted butadiene

A. Hansen, T. D. Bouman, 1978 .

Understanding Molecular Properties

J. P. Dahl, J. Avery, A. Hansen, 1987 .

Natural Chiroptical Spectroscopy: Theory and Computations

A. Hansen, T. D. Bouman, 2007 .

Ab initio calculation of electronic circular dichroism fortrans-cyclooctene using London atomic orbitals

J. Olsen, P. Jørgensen, K. Ruud, 1995 .

Coupled cluster and density functional theory studies of the vibrational contribution to the optical rotation of (S)-propylene oxide.

K. Mikkelsen, J. Kongsted, L. Jensen, 2006, Journal of the American Chemical Society.

Ab-Initio Calculation and Analysis of Nuclear Magnetic Shielding Tensors: the LORG and SOLO Approaches

A. Hansen, T. D. Bouman, 1993 .

Interference Effects in Molecular Circular Dichroism Spectra

A. Hansen, 1982 .

NMR shielding calculations including electron correlation: benzene, pyridine and the n-azines

A. Hansen, T. D. Bouman, 1992 .

Study of locally dense and locally saturated basis sets in localized molecular orbital calculations of nuclear shielding: Ab initio LORG calculations for 13C and 17O in norbornenone

A. Hansen, Robert A. Kirby, 1996 .

Theory of vibrational circular dichroism : formalisms for atomic polar and axial tensors using noncanonical orbitals

P. Stephens, A. Hansen, T. D. Bouman, 1991 .

Calculation, display, and analysis of the nature of nonsymmetric nuclear magnetic resonance shielding tensors: Application to three‐membered rings

A. Hansen, T. D. Bouman, 1989 .

Large-scaleRPA calculations of chiroptical properties of organic molecules: Program RPAC

Sten Rettrup, Aage E. Hansen, S. Rettrup, 1983 .

Linear response calculations of molecular optical and magnetic properties using program RPAC: NMR shielding tensors of pyridine and n‐azines

A. Hansen, T. D. Bouman, 2009 .

Understanding Molecular Optical Activity

A. Hansen, T. D. Bouman, 1987 .

Optical activity of saturated ketones. Ab initio localized orbital analysis of a model ketone in the random-phase approximation

A. Hansen, T. D. Bouman, B. Voigt, 1979 .

Hypervirial relations as constraints in calculations of electronic excitation properties: the random phase approximation in configuration interaction language

A. Hansen, T. D. Bouman, 1979 .

Interference effects in natural circular dichroism spectra

A. Hansen, 1978 .

A 2pπ, 3dπ valence bond wave function for the 1B1u state of ethylene

A. Hansen, 1969 .

Electronic spectra of mono-olefins. RPA calculations on ethylene, propene, and cis- and trans-2-butene

A. Hansen, T. D. Bouman, 1985 .

Higher-order sum rules for rotatory strengths

A. Hansen, 1977 .

On the hypervirial relation in the random phase approximation and the sum rules for ordinary and rotatory intensities in finite bases

A. Hansen, T. D. Bouman, 1977 .

On the resolution of an apparent conflict in the relation between position and momentum operators within the Hartree–Fock approximation

Robert A. Harris, A. Hansen, T. D. Bouman, 1989 .

Electronic structure of copper acetate monohydrate based on a coupled chromophore model

C. Ballhausen, A. Hansen, 1965 .

The octant rule. 18. Mechanism of ketone n .fwdarw. .pi.* optical activity. Experimental and computed chiroptical properties of 4-axial and 4-equatorial alkyladamantan-2-ones

D. Lightner, A. Hansen, T. D. Bouman, 1986 .

CHARGE‐TRANSFER BAND OF 7‐NORBORNENONE. CIRCULAR DICHROISM OF (1R)‐2‐DEUTERIOBICYCLO(2.2.1)HEPT‐2‐EN‐7‐ONE AND (1R)‐2‐METHYLBICYCLO(2.2.1)HEPT‐2‐EN‐7‐ONE

J. Gawroński, D. Lightner, A. Hansen, 1981 .

Dissymmetric chromophores. 7. Optical activity of conjugated cisoid dienes: experimental-theoretical study of 5-alkyl-1,3-cyclohexadienes

J. Gawroński, D. Lightner, A. Hansen, 1981 .

Localized orbital/local origin method for calculation and analysis of NMR shieldings. Applications to 13C shielding tensors

Aage E. Hansen, Thomas D. Bouman, A. Hansen, 1985 .

Benzocyclobutadiene: The question of structures, magnetic shieldings, and aromatic character*

M. Jensen, T. Thorsteinsson, A. Hansen, 2002 .

The octant rule. 11. Experimental and computed chiroptical properties of thioketones

D. Lightner, A. Hansen, T. D. Bouman, 1984 .

Optical activity of monoolefins: RPA calculations and extraction of the mechanisms in Kirkwood's theory. Application to (-)-trans-cyclooctene and 3(3R)-3-methylcyclopentene

Aage E. Hansen, Thomas D. Bouman, A. Hansen, 1985 .

Molecular Exciton Approach to Anisotropic Absorption and Circular Dichroism I. General Formulation

A. Hansen, 2005 .

A fully retarded expression for the rotatory strength

J. Avery, A. Hansen, 1972 .

Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

P. Jørgensen, K. Mikkelsen, M. Strange, 2005 .

Ab Initio Calculations and Display of Enantiomeric and Nonenantiomeric Anisotropic Circular Dichroism: The Lowest π → π* Excitation in Butadiene, Cyclohexadiene, and Methyl-Substituted Cyclohexadienes†

Keld L. Bak, A. Hansen, 2000 .

Ab initio calculations of oscillator and rotatory strengths in the random‐phase approximation: Twisted mono‐olefins

Aage E. Hansen, Thomas D. Bouman, A. Hansen, 1977 .

On the magneto-optical properties of polymers in the Frenkel exciton model

A. Hansen, 1977 .

A fully retarded expression for the circular dichroism of polymers in the frenkel exciton model

J. Avery, A. Hansen, 1972 .

Ab initio calculation and display of the rotary strength tensor in the random phase approximation. Method and model studies

Thomas Bondo Pedersen, Aage E. Hansen, T. B. Pedersen, 1995 .

On the importance of correlation effects for the parameters of semi-empirical molecular orbital calculations

A. Hansen, 1967 .

On the evaluation of electric and magnetic dipole transition moments in the ZDO approximation

A. Hansen, 1966 .

A coupled cluster study of the oriented circular dichroism of the n→π∗ electronic transition in cyclopropanone and natural optical active related structures

K. Mikkelsen, J. Kongsted, O. Christiansen, 2004 .

On the hamiltonians for magneto-optical intensities

A. Hansen, E. Svendsen, 1974 .

ALTERNATIVE TIME-DEPENDENT HAMILTONIANS BY INFINITESIMAL TRANSFORMATIONS.

A. Hansen, 2009 .

On the equivalence of different hamiltonians for the semi-classical radiation theory

A. Hansen, 1970 .

Electronic Spectra.

C. Ballhausen, C J Ballhausen, A E Hansen, 2015, Methods of biochemical analysis.

On the importance of scale and polarization of the atomic orbital basis for LCAO calculations of electronic intensities

A. Hansen, E. Svendsen, 1971 .

Valence bond study of the B1σu+ state of the hydrogen molecule

A. Hansen, Kai Kampp, 1969 .

Shielding Calculations: LORG and SOLO Approaches

Aage E. Hansen, Merete Bilde, M. Bilde, 2007 .

Iterative LORG calculations of nuclear magnetic shieldings. 13C shielding tensors in 2-norbornenone

A. Hansen, T. D. Bouman, 1988 .

Ab initio calculations of external charge effects on the isotropic 13C, 15N and 17O nuclear shieldings of amides☆

P. Hansen, A. Hansen, Jens Abildgaard, 1994 .

Correlation effects in the calculation of ordinary and rotatory intensities

A. Hansen, 1967 .

Ab initio calculations of deuterium isotope effects on hydrogen and nitrogen nuclear magnetic shielding in the hydrated ammonium ion

P. Hansen, A. Hansen, T. D. Bouman, 1992 .

2DeltaH(D) and 1DeltaN(D) Isotope Effects on Nuclear Shielding of Ammonium Ions in Complexes with Crown Ethers and Cryptands.

P. Hansen, Ágnes Buvári-barcza, A. Lyčka, 1993 .

Self consistent field molecular orbital calculation for pyrrole

J. P. Dahl, A. Hansen, 1963 .

On the aromatic character of some ten π-electron systems

J. P. Dahl, A. Hansen, 1963 .