Computational studies of water and carbon dioxide interactions with cellobiose

References

Page 1

	Year	Citations
Density-functional thermochemistry. III. The role of exact exchange Axel D. Becke The Journal of Chemical Physics Electron DensityChemical ThermodynamicsEngineeringPhysicsNatural Sciences	1993	101.1K
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Chengteh Lee, Weitao Yang, Robert G. Parr Physical review. B, Condensed matter Electron DensityGradient ExpansionsEngineeringPhysicsTheoretical Inorganic Chemistry	1988	98.6K
A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Stefan Grimme, Jens Antony, Stephan Ehrlich, The Journal of Chemical Physics EngineeringPhysicsNatural SciencesDispersion EnergySpectra-structure Correlation	2010	53.8K
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction Stefan Grimme Journal of Computational Chemistry Materials ScienceNew Density FunctionalChemical EngineeringLong‐range Dispersion CorrectionEngineering	2006	29.9K
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski, The Journal of Physical Chemistry Vibrational AbsorptionEngineeringAltmetric Attention ScoreAbsorption SpectroscopyComputational Chemistry	1994	22.5K
General atomic and molecular electronic structure system Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz, Journal of Computational Chemistry Parallel CalculationsEngineeringDetailed Speecup ResultsComputational ChemistryChemistry	1993	20.1K
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr B. Miehlich, Andreas Savin, Hermann Stoll Chemical Physics Letters Nuclear PhysicsPhysicsMany-body Quantum PhysicNatural SciencesComputational Chemistry	1989	7.2K
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds Huai Sun The Journal of Physical Chemistry B EngineeringComputational ChemistryChemistryMolecular DesignCondensed-phase Applicationsoverview	1998	5.7K
Accurate description of van der Waals complexes by density functional theory including empirical corrections Stefan Grimme Journal of Computational Chemistry Molecular SolidEngineeringPhysicsSuperposition ErrorNatural Sciences	2004	5.1K
Function minimization by conjugate gradients R. Fletcher The Computer Journal Mathematical ProgrammingNumerical AnalysisSeveral VariablesEngineeringMachine Learning	1964	4.8K

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