H. Bernhard Schlegel

Finding minima, transition states, and following reaction pathways on ab initio potential energy surfaces

H. Schlegel, H. Hratchian, H. Bernhard Schlegel, 2005 .

Empirical valence bond models for reactive potential energy surfaces. II. Intramolecular proton transfer in pyridone and the Claisen reaction of allyl vinyl ether

J. L. Sonnenberg, H. Bernhard Schlegel, 2007 .

Structural, spectroscopic, and electrochemical behavior of trans-phenolato cobalt(III) complexes of asymmetric NN'O ligands as archetypes for metallomesogens.

H. Hratchian, B. Mcgarvey, Mauricio Lanznaster, 2006, Dalton transactions.

Unexpected Formation of a Cobalt(III) Phenoxazinylate Electron Reservoir

Richard L. Lord, H. Schlegel, C. Verani, 2012 .

Ab initio molecular dynamics: Propagating the density matrix with gaussian orbitals. IV. Formal analysis of the deviations from born‐oppenheimer dynamics

G. Scuseria, G. Voth, M. Frisch, 2002 .

Transformation between Cartesian and pure spherical harmonic Gaussians

Michael J. Frisch, H. Bernhard Schlegel, M. Frisch, 1995 .