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This Article:
Enrico Clementi
Computation of Large Molecules with the Hartree-Fock Model
PNAS 1972 69: 2942-2944.
Computation of Large Molecules with the Hartree-Fock Model
PNAS 1972 69: 2942-2944.
has been cited by the following articles in journals that are participating in CrossRef's forward linking service: |
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Decay behavior of least-squares coefficients in auxiliary basis expansions P. M. W. Gill, A. T. B. Gilbert, S. W. Taylor, G. Friesecke, and M. Head-Gordon The Journal of Chemical Physics (2005) 123: 061101 Link to Article |
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Revisiting the potential energy surface for [H3N ··· HCl]: An ab initio and density functional theory investigation G. Corongiu, D. Estrin, G. Murgia, L. Paglieri, L. Pisani, G. Suzzi Valli, J.D. Watts, and E. Clementi International Journal of Quantum Chemistry (1996) 59: 119 Link to Article |
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Comments on the topic “computation of large molecules” Lorenzo Pisani, Laurent De Windt, and Enrico Clementi International Journal of Quantum Chemistry (1996) 58: 219 Link to Article |
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Time scales and other problems in linking simulations of simple chemical systems to more complex ones Enrico Clementi, Giorgina Corongiu, Dario Estrin, Eduardo Hollauer, and Omar G. Stradella International Journal of Quantum Chemistry (1993) 45: 511 Link to Article |
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Techniques for the compression of sequences of integer numbers and real numbers with fixed absolute precision Omar G. Stradella, Giorgina Corongiu, and Enrico Clementi Journal of Computational Chemistry (1993) 14: 673 Link to Article |
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Ab initio studies on the Ziegler-Natta catalytic process O. Novaro International Journal of Quantum Chemistry (1992) 42: 1047 Link to Article |
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A comparative study of density functional models to estimate molecular atomization energies Enrico Clementi and Subhas J. Chakravorty The Journal of Chemical Physics (1990) 93: 2591 Link to Article |
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Rigorous bounds to molecular electron repulsion and electrostatic potential integrals Shridhar R. Gadre, Sudhir A. Kulkarni, and Rajeev K. Pathak The Journal of Chemical Physics (1989) 91: 3596 Link to Article |
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Ab initio calculations on large molecules: The multiplicative integral approximation C. Van Alsenoy Journal of Computational Chemistry (1988) 9: 620 Link to Article |
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An unconventional scf method for calculations on large molecules Dieter Cremer and JüRgen Gauss Journal of Computational Chemistry (1986) 7: 274 Link to Article |
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Parallelism in quantum chemistry: Hydrogen bond study in DNA base pairs as an example E. Clementi, G. Corongiu, J. Detrich, S. Chin, and L. Domingo International Journal of Quantum Chemistry (1984) 26: 601 Link to Article |
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Ab initio calculations on the He–O2 potential energy surface. Hartree–Fock instability of O2 J. H. van Lenthe and F. B. van Duijneveldt The Journal of Chemical Physics (1984) 81: 3168 Link to Article |
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Treatment of Coulomb interactions in Hartree-Fock calculations of periodic systems R. Dovesi, C. Pisani, and C. Roetti Physical Review B (1983) 28: 5781 Link to Article |
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The fourth order diagrammatic MB-RSPT calculations of the correlation energy of ten electron systems Miroslav Urban, Ivan Hubac̆, Vladimír Kellö, and Jozef Noga The Journal of Chemical Physics (1980) 72: 3378 Link to Article |
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Interaction of Water with DNA Single-Helix in the A Conformation E. Clementi and G. Corongiu Biopolymers (1979) 18: 2431 Link to Article |
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On the use of spatial symmetry in atomic-integral calculations: An efficient permutational approach H. Le Rouzo International Journal of Quantum Chemistry (1979) 15: 57 Link to Article |
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Interaction of water with DNA single and double helix in theB conformation E. Clementi and G. Corongiu International Journal of Quantum Chemistry (1979) 16: 897 Link to Article |
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Ab initio calculation of the first order interaction energy in excited dimers. The H2O–H2O and H2O–Ne dimers Marc van Hemert and Ad van der Avoird The Journal of Chemical Physics (1979) 71: 5310 Link to Article |
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Conformational studies on polynucleotide chains. I. Hartree-fock energies and description of nonbonded interactions with Lennard-Jones
potentials Osamu Matsuoka, Camillo Tosi, and Enrico Clementi Biopolymers (1978) 17: 33 Link to Article |
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Conformational studies on polynucleotide chains. II. Analysis of steric interactions and derivation of potential functions
for internal rotations Camillo Tosi, Enrico Clementi, and Osamu Matsuoka Biopolymers (1978) 17: 51 Link to Article |
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Simplifications in the generation and transformation of two-electron integrals in molecular calculations Nelson H. F. Beebe and Jan Linderberg International Journal of Quantum Chemistry (1977) 12: 683 Link to Article |
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Test of an integral approximation scheme based on semiorthogonalized orbitals inLCAO SCF MO CI calculations of naphthalene Hiroshi Kashiwagi and Toshikazu Takada International Journal of Quantum Chemistry (1977) 12: 449 Link to Article |
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Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion Fred Mulder, Marc Hemert, Paul E. S. Wormer, and Ad Avoird Theoretica Chimica Acta (1977) 46: 39 Link to Article |
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Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion Fred Mulder, Marc Hemert, Paul E. S. Wormer, and Ad Avoird Theoretica Chimica Acta (1977) 46: 39 Link to Article |
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Ab initioLCAO-MO-SCF Calculation of chlorpromazine and promazine Herbert E. Popkie and Joyce J. Kaufman International Journal of Quantum Chemistry (1976) 10: 569 Link to Article |
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Integral approximations on the basis of semiorthogonalized orbitals Hiroshi Kashiwagi International Journal of Quantum Chemistry (1976) 10: 135 Link to Article |
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Iterative introduction of integral approximations with error bounds inSCF calculations J. A. Jafri and J. L. Whitten International Journal of Quantum Chemistry (1976) 10: 383 Link to Article |
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T B Grimley and C Pisani Journal of Physics C Solid State Physics (1974) 7: 2831 Link to Article |
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Ab initio Calculations for the electronic structure of carbazole and trinitrofluorenone I. P. Batra, P. S. Bagus, E. Clementi, and H. Seki Theoretica Chimica Acta (1974) 32: 279 Link to Article |
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