Hans Peter Lüthi

发表

Jacques Weber, Pierre-Yves Morgantini, Hans Peter Lüthi, 2002 .

A coarse‐grain parallel implementation of the direct SCF method

Hans Peter Lüthi, John E. Mertz, Jan Almlöf, 1992 .

Dividing a complex reaction involving a hypervalent iodine reagent into three limiting mechanisms by ab initio molecular dynamics

Jürg Hutter, Marcella Iannuzzi, Hans Peter Lüthi, 2015, J. Comput. Chem..

Network supercomputing: A distributed-concurrent direct SCF scheme

Hans Peter Lüthi, Jan Almlöf, H. Lüthi, 1993 .

The solvent effect on two competing reaction mechanisms involving hypervalent iodine reagents (λ3‐iodanes): Facing the limit of the stationary quantum chemical approach

Hans Peter Lüthi, Oliver Sala, Antonio Togni, 2014, J. Comput. Chem..

SCIDDLE: A tool for large scale distributed computing

Peter Arbenz, Hans Peter Lüthi, Christoph Sprenger, 1995, Concurr. Pract. Exp..

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

Kim K. Baldridge, Sergio Rampino, Attila Tajti, 2014, J. Comput. Chem..

Applied Distributed Supercomputing in Homogeneous Networks

Peter Arbenz, Walter Scott, Hans Peter Lüthi, 1992, Int. J. High Speed Comput..

Metacomputing, an emerging technology?

Hans Peter Lüthi, Hans Peter Lüthi, 2000 .

Sciddle 4.0, or, Remote Procedure Calles in PVM

Peter Arbenz, Walter Gander, Hans Peter Lüthi, 1996, HPCN Europe.

SCIDDLE: A Tool for Large Scale Cooperative Computing

Peter Arbenz, Stefan Vogel, Christoph Sprenger, 1994, HPCN.

A new optimization technique for artificial neural networks applied to prediction of force constants of large molecules

Thomas H. Fischer, Hans Peter Lüthi, Wesley P. Petersen, 1995, J. Comput. Chem..

Network computing: the Hartree-Fock calculation as a model

Hans Peter Lüthi, H. Lüthi, 1997 .

Correlating the Molecular Electrostatic Potentials of Some Organic Peroxides with Their Antimalarial Activities

Jean M. J. Tronchet, Jacques Weber, Hans Peter Lüthi, 2000, J. Chem. Inf. Comput. Sci..

Synchronous Communication of Molecular and Electronic Structure Information in a Distributed Computing Environment

Peter F. Flükiger, Hans Peter Lüthi, Stefan Portmann, 1999, ISHPC.

THE MOLECULAR AND ELECTRONIC STRUCTURE OF S-TETRAZINE IN THE GROUND AND FIRST EXCITED STATE : A THEORETICAL INVESTIGATION

Hans Peter Lüthi, Jürg Hutter, Martin Schütz, 1995 .

Ab initio computations close to the one‐particle basis set limit on the weakly bound van der Waals complexes benzene–neon and benzene–argon

Hans Peter Lüthi, Wim Klopper, Alfred Bauder, 1994 .

Third-order methods for molecular geometry optimizations

Hans Peter Lüthi, T. H. Fischer, T. Fischer, 1993 .

On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional.

Hans Peter Lüthi, Kurt V Mikkelsen, K. Mikkelsen, 2009, The Journal of chemical physics.

Direct SCF structure optimization of large molecules on networks of workstations

Hans Peter Lüthi, T. H. Fischer, S. Vogel, 1993 .

AB initio studies on the thermodynamic stability of the icosahedral C60 molecule “buckminsterfullerene”

Hans Peter Lüthi, Jan Almlöf, H. Lüthi, 1987 .

Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model

Hans Peter Lüthi, Seiji Tsuzuki, H. Lüthi, 2001 .

TOWARDS THE ACCURATE COMPUTATION OF PROPERTIES OF TRANSITION METAL COMPOUNDS : THE BINDING ENERGY OF FERROCENE

Hans Peter Lüthi, Wim Klopper, H. Lüthi, 1996 .

How well does the Hartree–Fock model predict equilibrium geometries of transition metal complexes? Large‐scale LCAO–SCF studies on ferrocene and decamethylferrocene

Hans Peter Lüthi, Jan Almlöf, H. Lüthi, 1982 .

The metal to ring distance of ferrocene as determined by ab initio mo scf calculations

Hans Peter Lüthi, Jan Almlöf, Knut Korsell, 1980 .

The molecular structure of C6: A theoretical investigation

Hans Peter Lüthi, Jürg Hutter, H. Lüthi, 1994 .

The MP2 limit correction applied to coupled cluster calculations of the electronic dissociation energies of the hydrogen fluoride and water dimers

Hans Peter Lüthi, Wim Klopper, H. Lüthi, 1999 .

Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections

Hans Peter Lüthi, Bernard Delley, B. Delley, 1994 .

The effect of electron correlation on the metal—ligand bond in ferrocene

Per E. M. Siegbahn, Hans Peter Lüthi, Jan Almlöf, 1984 .