K. Rasmussen

发表

Molecular Dynamics Modeling of Clay Minerals. 1. Gibbsite, Kaolinite, Pyrophyllite, and Beidellite

B. Teppen, L. Schäfer, P. Bertsch, 1997 .

Recent trends in carbohydrate modeling.

J. D. Dyekjaer, K. Rasmussen, 2003, Mini reviews in medicinal chemistry.

Vapor-liquid equilibria of polymer solutions determined by molecular mechanics

W. Welsh, P. Rasmussen, S. Jónsdóttir, 1998 .

Dimerization of organic free radicals in solution. 1. Temperature dependent measurements.

S. Landgraf, K. Rasmussen, G. Grampp, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The Consistent Force Field. 1. Methods and Strategies for Optimization of Empirical Potential Energy Functions.

Kjeld Rasmussen, Søren Balling Engelsen, Claus J. Nielsen, 1994 .

Conformation and Anomer Ratio of D-Glucopyranose in Different Potential Energy Functions.

Kjeld Rasmussen, Sven J. Cyvin, Bjørg N. Cyvin, 1982 .

Consistent force field calculation of conformations of spiro compounds

K. Rasmussen, C. Tosi, 1985 .

Beta-oxidation of C-6-C-10 fatty acids in rat liver homogenates measured by selected ion monitoring: effects of cyanide and clofibrate.

P. Mortensen, K. Rasmussen, 1983, Biomedical mass spectrometry.

Potential Energy Functions in Conformational Analysis

K. Rasmussen, 1985 .

Beta-lactose in the view of a CFF-optimized force field

S. Engelsen, K. Rasmussen, 1997 .

The Consistent Force Field. 5. PEF95SAC: Optimized potential energy function for alcohols and carbohydrates

Kjeld Rasmussen, Søren Balling Engelsen, Jesper Fabricius, 1997 .

The Consistent Force Field. Part 4. An Optimized Set of Potential Energy Functions for Aliphatic and Alicyclic Ethers and Anomeric Carbon Atoms.

S. Engelsen, K. Rasmussen, J. Fabricius, 1996 .

CONFORMATIONAL ANALYSIS OF COORDINATION COMPOUNDS. IV. TRIS(1,2-ETHANEDIAMINE)- AND TRIS(2,3-BUTANEDIAMINE)COBALT(III) COMPLEXES

S. J. Cyvin, B. Cyvin, S. Rundqvist, 1979 .

The Consistent Force Field

Kjeld Rasmussen, Svetozar R. Niketić, K. Rasmussen, 1977 .

Conformational Analysis of Coordination Compounds. III. Tris-diamine Cobalt(III) and Chromium(III) Complexes with Six-membered Chelate Rings.

S. Lifson, J. Koskikallio, K. Rasmussen, 1976 .

In Vacuo and In Crystal Molecular-Mechanical Modeling of Copper(II) Complexes with Amino Acids

K. Rasmussen, J. Sabolović, 1995 .

Infrared and far infrared spectra of dihalo(ethylenediamine) palladium(II) and platinum(II)

R. W. Berg, K. Rasmussen, 1973 .

Vibrational spectra of bis(ethylenediamine) palladium(II)- and platinum(II) halides and their deuterium isotopomers

R. W. Berg, K. Rasmussen, 1972 .

THE APPLICATION OF CONFORMATIONAL ANALYSIS TO THE STRUCTURE AND ENERGY OF COORDINATION COMPOUNDS WITH SPECIAL REFERENCE TO CHELATE RINGS

K. Rasmussen, F. Woldbye, 1980 .

Development of potential energy functions for use in conformational analysis

Kjeld Rasmussen, K. Rasmussen, 1989 .

Distortion potential for molecular mechanics calculation of plasticity of copper(II) coordination: An approximation

N. Raos, K. Rasmussen, J. Sabolović, 1991 .

Simulation of Plasticity of Copper(II) Coordination Polyhedron: Empirical Force Field Model with Distorsion Coordinate Potential

N. Raos, K. Rasmussen, J. Sabolović, 1989 .

The Consistent Force Field: A Documentation

Kjeld Rasmussen, Svetozar R. Niketić, K. Rasmussen, 1977 .

Small imines and oximes as model compounds in the optimization of a consistent force field potential energy function

K. Rasmussen, A. Hezemans, C. Huige, 1987 .

CHROMATOGRAPHIC SEPARATION AND OPTICAL ACTIVITY OF COBALT(III) COMPLEXES WITH MIXED ETHYLENEDIAMINE-TRIMETHYLENEDIAMINE COORDINATION SPHERES

O. Bang, U. Skoglund, K. Rasmussen, 1976 .

Applications: Coordination complexes

K. Rasmussen, 1985 .

A program for calculation of crystal conformations of flexible molecules using convergence acceleration

L. Pietilä, K. Rasmussen, 1984 .

Potential energy function for calculation of structures, vibrational spectra and thermodynamic functions of alkanes, alcohols, ethers and carbohydrates

Kjeld Rasmussen, Steen Melberg, S. Melberg, 1979 .

Infrared and far infrared spectra of normal, C-, N- and per-deuterated 1,2-ethanediamine

K. Rasmussen, Anna-Lise Borring, 1975 .

Infrared and far infrared spectra of bis(ethylenediamine)palladium(II) and platinum(II) tetrahalometallates(II)

K. Rasmussen, Wolf W. Berg, 1973 .

Conformations of disaccharides by empirical force-field calculations: part II, β-cellobiose

Kjeld Rasmussen, Steen Melberg, S. Melberg, 1979 .

The Ion Pair--Triple Ion Borderland of Sodium Iodide in 1-Butanol at 25 degrees C.

S. J. Cyvin, B. Cyvin, P. Beronius, 1978 .

The consistent force field. Part 6: an optimized set of potential energy functions for primary amines

S. Jónsdóttir, K. Rasmussen, 2000 .

On the calculation of the structure of tris-(tert-butyl)-methane

K. Rasmussen, 1981 .

Electron self-exchange kinetics between 2,3-dicyano-5,6-dichloro-p-benzoquinone (DDQ) and its radical anion. Part 1. Solvent dynamical effects†

S. Landgraf, G. Grampp, K. Rasmussen, 1999 .

Conformational studies on polynucleotide chains. V. A comparison between the quantum‐mechanical and the consistent force field approach

K. Rasmussen, C. Tosi, 1981 .

Vibrational Spectra of Ethylenediamine Salts. I. Tentative Assignments of Infrared and Far Infrared Spectra

R. W. Berg, K. Rasmussen, 1971 .

Vibrational spectra of ethylenediamine salts—II. Infrared and far infrared spectra of normal and C-deuterated 1,2-ethanediammonium difluoride

K. Rasmussen, L. Christensen, 1975 .

Conformations of alpha- and beta-D-Glucopyranose from an Empirical Force Field.

Kjeld Rasmussen, Steen Melberg, S. Melberg, 1977 .

Optimized Potential Energy Functions in Conformational Analysis of Saccharides

K. Rasmussen, J. Fabricius, 1990 .

A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrates

Kjeld Rasmussen, Hanoch Senderowitz, Alfred D. French, 1998 .

Interactive Graphical Optimization of Potential Energy Function Parameters in the Consistent Force Field

Kjeld Rasmussen, Søren Balling Engelsen, Jesper Fabricius, 1994, Comput. Chem..

THE CONSISTENT FORCE FIELD. II: AN OPTIMIZED SET OF POTENTIAL ENERGY FUNCTIONS FOR THE ALKANES

S. Engelsen, G. Francis, C. Nielsen, 1994 .

How to develop force fields: An account of the emergence of potential energy functions for saccharides

Kjeld Rasmussen, K. Rasmussen, 1997 .

UNIQUAC interaction parameters for alkane/amine systems determined by Molecular Mechanics

R. Klein, S. Jónsdóttir, K. Rasmussen, 1996 .

Consistent force fields for saccharides.

Kjeld Rasmussen, K. Rasmussen, 1999 .

The Consistent Force Field: Development of Potential Energy Functions for Conformational Analysis

S. Engelsen, K. Rasmussen, J. Fabricius, 1993 .

QSPR models based on molecular mechanics and quantum chemical calculations

Kjeld Rasmussen, S. Jónsdóttir, Jane Dyekjær, 2002, Journal of molecular modeling.

Infrared and far infrared spectra of tris(diamine) cobalt (III) coordination complexes

K. Rasmussen, 1974 .

UNIQUAC parameters determined by molecular mechanics

Aage Fredenslund, Kjeld Rasmussen, A. Fredenslund, 1994 .

Infrared Spectra of Tris(ethylendiamine) Cobalt(III) Complex Ion in Solid State and Dissolved in Light and Heavy Water

R. W. Berg, K. Rasmussen, 1972 .