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exaly
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Journal of Computational Chemistry
›
Top Articles
Journal of Computational Chemistry
Mathematics
,
Chemistry
,
Computational Mathematics
,
Applied Mathematics
3.5
(top 4%)
Impact Factor
3.7
(top 4%)
extended IF
239
(top 1%)
H-Index
4.1K
authors
7.4K
papers
572.6K
citations
5.9K
citing journals
153K
citing authors
Most Cited Articles of Journal of Computational Chemistry
Title
Year
Citations
UCSF Chimera--a visualization system for exploratory research and analysis
2004
26.5K
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
2006
19.1K
General atomic and molecular electronic structure system
1993
17.2K
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
1983
13K
Scalable molecular dynamics with NAMD
2005
12.7K
AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
2010
11.7K
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
2009
11.7K
Multiwfn: a multifunctional wavefunction analyzer
2012
11.6K
Development and testing of a general amber force field
2004
10.7K
Effect of the damping function in dispersion corrected density functional theory
2011
10.4K
GROMACS: fast, flexible, and free
2005
10.3K
LINCS: A linear constraint solver for molecular simulations
1997
10.2K
Chemistry with ADF
2001
7.6K
Optimization of parameters for semiempirical methods I. Method
1989
6.6K
The Amber biomolecular simulation programs
2005
6.2K
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
2003
5.8K
CHARMM: the biomolecular simulation program
2009
5.5K
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li–F
1983
5.5K
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
1992
4.8K
THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method
1992
4.7K
PACKMOL: a package for building initial configurations for molecular dynamics simulations
2009
3.8K
Accurate description of van der Waals complexes by density functional theory including empirical corrections
2004
3.7K
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
1990
3.7K
cclib: a library for package-independent computational chemistry algorithms
2008
3.7K
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
2003
3.6K
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How are inpact factors calculated?
The impact factor (IF) is calculated by counting citations from peer-reviewed journals only.
extended IF
also counts citations from books and conference papers. However, no patent, abstract, working papers, online documents, etc., are covered.
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