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Reviews in Computational Chemistry
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top-articles
Reviews in Computational Chemistry
1.5
(top 50%)
impact factor
139
(top 50%)
papers
6.2K
(top 20%)
citations
37
(top 20%)
h
-index
1.8
(top 50%)
impact factor
332
all documents
8.1K
doc citations
74
(top 20%)
g
-index
Top Articles
#
Title
Journal
Year
Citations
1
Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry
Reviews in Computational Chemistry
2007
775
2
An Introduction to Coupled Cluster Theory for Computational Chemists
Reviews in Computational Chemistry
2007
531
3
Applications of Post-Hartree-Fock Methods: A Tutorial
Reviews in Computational Chemistry
2007
273
4
Variational Transition State Theory with Multidimensional Tunneling
Reviews in Computational Chemistry
2007
273
5
Applications of Support Vector Machines in Chemistry
Reviews in Computational Chemistry
2007
261
6
Semiempirical Molecular Orbital Methods
Reviews in Computational Chemistry
2007
259
7
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure-Property Modeling
Reviews in Computational Chemistry
2007
217
8
Methods and Applications of Combined Quantum Mechanical and Molecular Mechanical Potentials
Reviews in Computational Chemistry
2007
189
9
Molecular Electrostatic Potentials and Chemical Reactivity
Reviews in Computational Chemistry
2007
153
10
A Computational Strategy for Organic Photochemistry
Reviews in Computational Chemistry
2007
138
11
Semiempirical Molecular Orbital Methods
Reviews in Computational Chemistry
2007
136
12
Ab Initio Quantum Simulation in Solid State Chemistry
Reviews in Computational Chemistry
2005
120
13
Born-Oppenheimer Direct Dynamics Classical Trajectory Simulations
Reviews in Computational Chemistry
2003
108
14
Molecular Quantum Similarity: Theory and Applications
Reviews in Computational Chemistry
2005
105
15
Spin-Orbit Coupling in Molecules
Reviews in Computational Chemistry
2001
104
16
Calculation of the Electronic Spectra of Large Molecules
Reviews in Computational Chemistry
2004
102
17
Pseudopotential Calculations of Transition Metal Compounds: Scope and Limitations
Reviews in Computational Chemistry
2007
100
18
Linear-Scaling Methods in Quantum Chemistry
Reviews in Computational Chemistry
2007
94
19
Computer Simulation to Predict Possible Crystal Polymorphs
Reviews in Computational Chemistry
2007
89
20
Small Molecule Docking and Scoring
Reviews in Computational Chemistry
2001
88
21
Population Analysis and Electron Densities from Quantum Mechanics
Reviews in Computational Chemistry
2007
84
22
Calculations on Open-Shell Molecules: A Beginner's Guide
Reviews in Computational Chemistry
2007
77
23
Molecular Models of Water: Derivation and Description
Reviews in Computational Chemistry
2007
77
24
Continuum Solvation Models: Classical and Quantum Mechanical Implementations
Reviews in Computational Chemistry
2007
73
25
Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations
Reviews in Computational Chemistry
2007
70
26
The Poisson-Boltzmann Equation
Reviews in Computational Chemistry
2003
69
27
Quantum Mechanical Methods for Predicting Nonlinear Optical Properties
Reviews in Computational Chemistry
2007
68
28
New Approaches to Empirical Force Fields
Reviews in Computational Chemistry
2007
63
29
An Introduction to Density Functional Theory
Reviews in Computational Chemistry
2007
61
30
Valence Bond Theory, Its History, Fundamentals, and Applications: A Primer
Reviews in Computational Chemistry
2004
58
31
Net Atomic Charge and Multipole Models for the ab Initio Molecular Electric Potential
Reviews in Computational Chemistry
2007
57
32
Molecular Mechanics: The Art and Science of Parameterization
Reviews in Computational Chemistry
2007
57
33
A Survey of Methods for Searching the Conformational Space of Small and Medium-Sized Molecules
Reviews in Computational Chemistry
2007
54
34
Distance Geometry in Molecular Modeling
Reviews in Computational Chemistry
2007
50
35
Conical Intersections in Molecular Systems
Reviews in Computational Chemistry
2007
47
36
Effective Core Potential Approaches to the Chemistry of the Heavier Elements
Reviews in Computational Chemistry
2007
46
37
Computational Approaches to Lipophilicity: Methods and Applications
Reviews in Computational Chemistry
2007
45
38
Computations in Treating Fullerenes and Carbon Aggregates
Reviews in Computational Chemistry
2007
42
39
Basis Set Superposition Errors: Theory and Practice
Reviews in Computational Chemistry
2007
40
40
Development of Computational Models for Enzymes, Transporters, Channels, and Receptors Relevant to ADME/Tox
Reviews in Computational Chemistry
2004
38
41
Free Energy Calculations: Use and Limitations in Predicting Ligand Binding Affinities
Reviews in Computational Chemistry
2007
38
42
Theoretical and Practical Aspects of Three-Dimensional Quantitative Structure-Activity Relationships
Reviews in Computational Chemistry
2007
37
43
Calculating the Properties of Hydrogen Bonds by ab Initio Methods
Reviews in Computational Chemistry
0
37
44
Biomolecular Applications of Poisson-Boltzmann Methods
Reviews in Computational Chemistry
2005
36
45
Basis Sets for Ab Initio Molecular Orbital Calculations and Intermolecular Interactions
Reviews in Computational Chemistry
2007
36
46
Use of Force Fields in Materials Modeling
Reviews in Computational Chemistry
2007
35
47
Enumerating Molecules
Reviews in Computational Chemistry
2005
34
48
Successes of Computer-Assisted Molecular Design
Reviews in Computational Chemistry
0
34
49
Searching Databases of Three-Dimensional Structures
Reviews in Computational Chemistry
2007
31
50
TheAb InitioComputation of Nuclear Magnetic Resonance Chemical Shielding
Reviews in Computational Chemistry
2007
31
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