Journal 

General

• ISI Web of Science

• resolve a doi

• Imperial Electronic Journals

• Imperial Library Search

Physical

• Journal of Chemical Physics

• J Phys Chem A

• J Phys Chem B

• Chemical physics letters

• Chemical physics

• Journal of Molecular Structure

• Journal of Mol. Struct.

• Journal of Computational and Theoretical Chemistry

• ChemPhysChem

• PhysChem ChemPhys

• Physical Review Letters

• J. Comp Chem

• J Chem. Information and Modeling

• Surface Science

• Molecular Physics

• Journal of Molecular Liquids

• Fluid Phase Equilibria

• Chemistry Letters

• Physics and chemistry of Liquids

• Molecular Simulation

Magazines

• Chemistry World

• New Scientist

• Science

• Chemical and Engineering News

• Nature

Inorganic

• Angewandte Chemie Int.

• ACS Catalysis

• J Am Chem Soc

• Inorganic Chemistry

• Organometallics

• Chem Comm

• Tetrahedron

• Inorganica Chimica Acta

• Dalton Transactions

• J. Organometallic Chemistry

Others

• Royal Society Open Science

• RSC Chemical Society Reviews

• Chemical Science

• ACS Chemical Reviews

• Green Chemistry

• Chemistry a European Journal

• Dyes and Pigments

Crystal Databases

• COD

• CrystalMaker

• CCDC

Software/Codes

Quantum Codes

• Gaussian

• ADF

• Turbomole

• Molcas

• OpenMolcas

• Molpro

• ORCA

• Psi4

• Crystal

• CASTEP

Solvation

• Minnesota Solvation Database experimental database for use with QC

• FreeSolv experimental database for use with MD

• CombiSolv-QM and CombiSolv-Exp

• PyMol

• VEASTA visualisation for electronic structural analysis, solid state

 QC visualisation

• CLYview

• Avogadro

• WebMO

• PyMol

• VEASTA visualisation for electronic structural analysis, solid state

MD codes and visualisation

• VMD

• TRAVIS

• CPMD and CPMD tips

• CP2K

• AMBER, tutorials

• TINKER

• EMC enhanced monte carlo

Pseudo Potentials, Basis Sets and Force Field parameters

• Stuttgart PPs

• Peterson Group

• link to a site that downloads basis sets and pseudopotentials in a number of different program formats

• DFT Functional Repository

• Force field parameter sets (from the Goodman group in Cambridge)

Analyse

• NBO program

• AIMAll

• Multiwfn

• Bader analysis

• POLYRATE program

• VARIFLEX program

• zeo++ pore volume measures

• ABcluster a cluster sampling code

• BootD3 provides uncertainty limits for D3 corrections

• software from the Bonn groups such as xtb, dftd3, dftd4, TRAVIS, ORCA.

• EPS elemental data

Quantum Chemistry

• CECAM

• psi-k

• EPSRC NCCS

• computational chemistry projects: the CCP's

• quantum chemistry program exchange

• the computational chemistry list: CCL