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Búsqueda de Publicación - Prisma - Unidad de Bibliometría

Publicaciones en la fuente JOURNAL OF COMPUTATIONAL CHEMISTRY

Tipo Año Título Fuente
Artículo2023σ-Hole intermolecular interactions between carbon oxides and dihalogens: Ab-initio investigationsJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2014Improving the Calculation of Magnetic Coupling Constants in MRPT MethodsJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2012The Role of Macrocyclic Ligands in the Peroxo/Superoxo Nature of Ni-O-2 Biomimetic ComplexesJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2011Electronic Structure and Relative Stability of 1:1 Cu-O-2 Adducts from Difference-Dedicated Configuration Interaction CalculationsJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2011Heisenberg Behavior of Some Carbon-Beryllium Compounds: How Well Truncated-CI Approaches WorkJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2008Adsorption of benzene, fluorobenzene and meta-di-fluorobenzene on Cu(110): A computational studyJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2007Bond electron pair: Its relevance and analysis from the quantum chemistry point of viewJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo2005A CSOV study of the difference between HF and DFT intermolecular interaction energy values: The importance of the charge transfer contributionJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo1999Ab initio compact group model potentials for describing environment effects in cluster calculationsJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo1997Importance of Madelung potential in quantum chemical modeling of ionic surfacesJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo1997Parallel computation of second derivatives of RHF energy on distributed memory computersJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo1995Parallel computation of the mp2 energy on distributed-memory computersJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo1990Theoretical-analysis of the electronic-spectrum of GeH4 from abinitio-ci calculationsJOURNAL OF COMPUTATIONAL CHEMISTRY
Artículo1988Theoretical calculations of proton affinities of azines - Prediction of the relative basicities and preferred protonation sitesJOURNAL OF COMPUTATIONAL CHEMISTRY