Chemical Physics Letters

2.6(top 20%)

impact factor

62.5K(top 0.1%)

papers

1.8M(top 0.1%)

citations

320(top 1%)

h-index

2.6(top 20%)

impact factor

65.7K

all documents

1.8M

doc citations

571(top 1%)

g-index

Top Articles

#	Title	Journal	Year	Citations
1	A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)	Chemical Physics Letters	2004	11,492
2	Electronic structure calculations on workstation computers: The program system turbomole	Chemical Physics Letters	1989	7,917
3	A fifth-order perturbation comparison of electron correlation theories	Chemical Physics Letters	1989	7,448
4	Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr	Chemical Physics Letters	1989	6,521
5	Raman spectra of pyridine adsorbed at a silver electrode	Chemical Physics Letters	1974	6,200
6	Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory	Chemical Physics Letters	1996	5,263
7	Replica-exchange molecular dynamics method for protein folding	Chemical Physics Letters	1999	3,978
8	Molecular rectifiers	Chemical Physics Letters	1974	3,474
9	Ab initio study of solvated molecules: a new implementation of the polarizable continuum model	Chemical Physics Letters	1996	3,086
10	Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities	Chemical Physics Letters	1998	2,887
11	The Grotthuss mechanism	Chemical Physics Letters	1995	2,781
12	Auxiliary basis sets to approximate Coulomb potentials	Chemical Physics Letters	1995	2,581
13	MP2 energy evaluation by direct methods	Chemical Physics Letters	1988	2,552
14	An efficient method for the evaluation of coupling coefficients in configuration interaction calculations	Chemical Physics Letters	1988	2,534
15	RI-MP2: optimized auxiliary basis sets and demonstration of efficiency	Chemical Physics Letters	1998	2,469
16	Natural abundance nitrogen-15 NMR by enhanced heteronuclear spectroscopy	Chemical Physics Letters	1980	2,457
17	An efficient second-order MC SCF method for long configuration expansions	Chemical Physics Letters	1985	2,454
18	Convergence acceleration of iterative sequences. the case of scf iteration	Chemical Physics Letters	1980	2,116
19	Nanoengineering of optical resonances	Chemical Physics Letters	1998	2,114
20	A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu	Chemical Physics Letters	1993	2,063
21	Basis-set convergence in correlated calculations on Ne, N2, and H2O	Chemical Physics Letters	1998	1,989
22	Charge, bond order and valence in the AB initio SCF theory	Chemical Physics Letters	1983	1,904
23	Theoretical studies of icosahedral C60 and some related species	Chemical Physics Letters	1986	1,789
24	Time-dependent density functional theory within the Tamm–Dancoff approximation	Chemical Physics Letters	1999	1,724
25	Gas-phase catalytic growth of single-walled carbon nanotubes from carbon monoxide	Chemical Physics Letters	1999	1,718
26	The synchronous-transit method for determining reaction pathways and locating molecular transition states	Chemical Physics Letters	1977	1,715
27	The isomers of silacyclopropane	Chemical Physics Letters	1980	1,701
28	The multi-configurational time-dependent Hartree approach	Chemical Physics Letters	1990	1,678
29	Reversible water-solubilization of single-walled carbon nanotubes by polymer wrapping	Chemical Physics Letters	2001	1,659
30	A direct MP2 gradient method	Chemical Physics Letters	1990	1,633
31	Catalytic growth of single-walled manotubes by laser vaporization	Chemical Physics Letters	1995	1,585
32	Auxiliary basis sets to approximate Coulomb potentials (Chem. Phys. Letters 240 (1995) 283-290)	Chemical Physics Letters	1995	1,567
33	The second-order approximate coupled cluster singles and doubles model CC2	Chemical Physics Letters	1995	1,564
34	A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods	Chemical Physics Letters	1992	1,561
35	Ab initio study of ionic solutions by a polarizable continuum dielectric model	Chemical Physics Letters	1998	1,493
36	Integral approximations for LCAO-SCF calculations	Chemical Physics Letters	1993	1,481
37	Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons	Chemical Physics Letters	1972	1,425
38	Nanoscale chemical analysis by tip-enhanced Raman spectroscopy	Chemical Physics Letters	2000	1,418
39	Fast evaluation of density functional exchange-correlation terms using the expansion of the electron density in auxiliary basis sets	Chemical Physics Letters	1997	1,335
40	Quadrupolar echo deuteron magnetic resonance spectroscopy in ordered hydrocarbon chains	Chemical Physics Letters	1976	1,323
41	A new structural model for graphite oxide	Chemical Physics Letters	1998	1,311
42	The multi-state CASPT2 method	Chemical Physics Letters	1998	1,309
43	Semi-direct algorithms for the MP2 energy and gradient	Chemical Physics Letters	1990	1,228
44	Fragment molecular orbital method: an approximate computational method for large molecules	Chemical Physics Letters	1999	1,189
45	Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid	Chemical Physics Letters	1974	1,173
46	Nano-aggregates of single-walled graphitic carbon nano-horns	Chemical Physics Letters	1999	1,144
47	Vibrational frequency prediction using density functional theory	Chemical Physics Letters	1996	1,141
48	Single-wall nanotubes produced by metal-catalyzed disproportionation of carbon monoxide	Chemical Physics Letters	1996	1,141
49	Use of approximate integrals in ab initio theory. An application in MP2 energy calculations	Chemical Physics Letters	1993	1,116
50	The effect of d-functions on molecular orbital energies for hydrocarbons	Chemical Physics Letters	1972	1,042

Scientometrics

Overviews

Citing Bodies

Chemical Physics Letters

Top Articles