J. Altmann

发表

A study of sulphur-containing molecules using Hartree-Fock, MP2 and DFT (hybrid) methodologies

N. Handy, V. Ingamells, J. Altmann, 1997 .

Ab initio calculations of some weakly bound dimers and complexes: II. The complexes of carbon dioxide with water and hydrogen sulphide

T. Ford, J. Altmann, 2007 .

A theoretical investigation of the dynamics of energy trapping in a two-dimensional model of the photosynthetic unit

G. Porter, G. Beddard, J. Altmann, 1978 .

An ab initio study of the rearrangement of carbonyl compounds to oxacarbenes

I. Csizmadia, P. Yates, K. Yates, 1977 .

A theoretical study of the geometry of the first triplet of acetaldehyde and of its fragmentation into free radicals

A. D. Osborne, J. Altmann, T. Doust, 1980 .

Geometry-optimised AB initio calculations on 1,3-butadiene; evidence concerning conjugative stabilization of dienes

J. Altmann, W. F. Reynolds, 1977 .

Ab initio study of methylcarbene and the stereochemistry of its rearrangement to ethylene

I. Csizmadia, K. Yates, J. Altmann, 1974 .

Intramolecular ligand exchange in phosphoranes. A comparison of Berry pseudorotation and turnstile rotation

I. Csizmadia, K. Yates, J. Altmann, 1976 .

Evaluation of the performance of the HCTH exchange-correlation functional using a benchmark of sulfur compounds

N. Handy, J. Altmann, 1999 .

A study of the performance of numerical basis sets in DFT calculations on sulfur‐containing molecules

N. Handy, V. Ingamells, J. Altmann, 1996 .

Stereochemistry of carbene rearrangements. Correlation of ab initio molecular orbitals as an aid to the investigation of the electron redistribution mechanism

I. Csizmadia, K. Yates, J. Altmann, 1975 .

Application of the principle of least motion to organic reactions. 4. More complex molecular rearrangements

K. Yates, J. Altmann, O. S. Tee, 1976 .

Ab initio and DFT calculations of some weakly bound dimers and complexes. I. The dimers of ammonia and phosphine

T. Ford, Magan G. Govender, J. Altmann, 2005 .

Conformational preferences of the calliFMRFamides and their free-acid analogues.

J. C. Sewell, A. Thorpe, H. Duve, 1995, Journal of biomolecular structure & dynamics.