Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter. Reports on new algorithms and comprehensive assessments of existing ones, and applications to new types of problems are especially welcome. Manuscripts that apply standard methods to specific chemical problems and/or to specific molecules are appropriate if they report novel results for an important problem of high interest and/or if they are used to develop significant new insights. 

Regular Articles and Short Communications.

Editors
A.J. Thakkar
A.J. Thakkar
Fredericton, New Brunswick, Canada Email A.J. Thakkar
M. Yáñez
Madrid, Spain Email M. Yáñez
M. Springborg
Saarbruecken, Germany Email M. Springborg
Editor Emeritus
C.E. Dykstra
University of Illinois at Urbana-Champaign, Champaign, Illinois, United States
Editorial Board
P. Ayers
Hamilton, Ontario, Canada
R. Broer
Groningen, Netherlands
B. Champagne
Namur, Belgium
P.K. Chattaraj
Kharagpur, India
H Chermette
Villeurbanne Cedex, France
J. Contreras
Paris
A.G. Császár
Budapest, Hungary
T.R. Cundari
Denton, Texas, United States
C. Daniel
Strasbourg, France
D.A. Dixon
Tuscaloosa, Alabama, United States
J.S. Francisco
West Lafayette, Indiana, United States
A. Galano
Mexico City, Mexico
S.J. Grabowski
San Sebastian, Spain
D. Jacquemin
Nantes, France
A. Karpfen
Wien, Austria
K.S. Kim
Pohang, Korea, Republic of
B. Mennucci
Pisa, Italy
S.H. Nilar
South San Francisco, California, United States
N. Russo
Arcavacata di Rende, Italy
H.F. Schaefer, III
Athens, Georgia, United States
S. Scheiner
Logan, Utah, United States
M. Sodupe
Bellaterra, Spain
M. Springborg
Saarbruecken, Germany