J. P. López

发表

A novel ab initio approach to problems of electronic structure calculations of the gas‐solid interface

W. Fink, A. M. Butkus, J. P. López, 2009 .

Electronic structure of clusters modeling silica

C. R. Helms, Cary Y. Yang, J. P. López, 1987 .

MNDO calculations applied to structural changes in 1,2,4-oxadiazole substituents

R. W. Rosser, J. P. López, 1983 .

A self‐definining ab initio procedure modeling the (100) face of diamond

W. Fink, J. P. López, 1981 .

A non-heme dinuclear iron(II) complex containing a single, unsupported hydroxo bridge.

P. Gütlich, R. Prakash, F. Heinemann, 2006, Chemical communications.

Gas-phase C-H and N-H bond activation by a high valent nitrido-iron dication and NH-transfer to activated olefins.

M. Reiher, H. Schwarz, J. Neugebauer, 2008, Journal of the American Chemical Society.

Unusual oxidative stability of a multidentate primary amine ligand: facile synthesis of the oxo-bridged diiron(III) complex

O. Horner, F. Heinemann, A. Grohmann, 2004 .

Iron carbonyl, nitrosyl, and nitro complexes of a tetrapodal pentadentate amine ligand: synthesis, electronic structure, and nitrite reductase-like reactivity.

R. Prakash, O. Horner, J. Oddou, 2002, Chemistry.

Relativistic effects on molecular hyperfine interactions: Application to ytterbium fluorides

D. Case, J. P. López, 1984 .

Alternating perpendicular 1-D channels in the supramolecular structure of the copper(II) complex [Cu(pyterpy)(2)](PF6)(2) center dot CH₃OH center dot 0.5 CH₂Cl₂ (pyterpy=4 '-(4 '''-pyridyl)-2,2': 6 ',2 ''-terpyridine)

A. Thünemann, W. Kraus, G. Reck, 2005 .

Synthesis, structure and reactivity of the homoleptic iron(II) complex of the novel 4'-(4'''-pyridyl-N-oxide)-2,2':6',2''-terpyridine ligand

A. Thünemann, W. Kraus, G. Reck, 2005 .

Insulator—conductor transition in tetracyanoplatinate complexes

D. Case, Cary Y. Yang, J. P. López, 1982 .

The interaction of O2− with water

J. Mccammon, T. A. Albright, J. P. López, 1986 .

Molecular Orbital Calculations on Metallocenes with Unusual Geometries

T. A. Albright, J. Silvestre, J. P. López, 1986 .

Relativistic scattered wave calculations of hexachloro‐ and hexabromoiridate (IV)

D. Case, J. P. López, 1984 .

Stationary points on the potential energy surface of O2−HF and O2−H2O

J. P. López, 1989 .

Electronic structure of tungsten hexacarbonyl

Cary Y. Yang, J. P. López, R. Arratia‐Pérez, 1984 .

Gas-phase C-H and N-H bond activation by a high valent nitrido-iron dication and NH-transfer to activated olefins.

M. Reiher, H. Schwarz, J. Neugebauer, 2008, Journal of the American Chemical Society.