| Year |
Citation |
Score |
| 2012 |
Clementi E, Corongiu G. Nonorthogonal orbitals; The Hartree-Fock-Heitler-London method and preliminary applications International Journal of Quantum Chemistry. 112: 2940-2946. DOI: 10.1002/Qua.24126 |
0.395 |
|
| 2011 |
Corongiu G, Clementi E. Energy and density analysis on the H2 molecule from the united atom to dissociation: The Σ, Π, Δ, φ, and Γ manifolds International Journal of Quantum Chemistry. 111: 3517-3540. DOI: 10.1002/Qua.22831 |
0.396 |
|
| 2009 |
Corongiu G, Clementi E. Energy and density analyses of the 1Sigma(u)+ states in the H2 molecule from the united atom to dissociation. The Journal of Physical Chemistry. A. 113: 14791-9. PMID 20028170 DOI: 10.1021/Jp9049395 |
0.379 |
|
| 2009 |
Corongiu G, Clementi E. Energy and density analysis of the H2 molecule from the united atom to dissociation: the 3Sigma(g)+ and 3Sigma(u)+ states. The Journal of Chemical Physics. 131: 184306. PMID 19916603 DOI: 10.1063/1.3259551 |
0.394 |
|
| 2009 |
Corongiu G, Clementi E. From Hartree-Fock and Heitler-London to chemical orbitals Theoretical Chemistry Accounts. 123: 209-235. DOI: 10.1007/S00214-009-0526-Z |
0.385 |
|
| 2009 |
Niesar U, Corongiu G, Huang M, Dupuis M, Clementi E. Preliminary observations on a new water-water potential International Journal of Quantum Chemistry. 36: 421-443. DOI: 10.1002/Qua.560360845 |
0.39 |
|
| 2009 |
Corongiu G, Fornili SL, Clementi E. Hydration of agarose double helix: A monte carlo simulation International Journal of Quantum Chemistry. 24: 277-291. DOI: 10.1002/Qua.560240727 |
0.443 |
|
| 2009 |
Clementi E, Corongiu G. Monte carlo study of liquid water with two- and three-body ab initio potentials International Journal of Quantum Chemistry. 24: 31-41. DOI: 10.1002/Qua.560240707 |
0.321 |
|
| 2009 |
Vercauteren DP, Clementi E. Photoionization spectra of B-DNA and Z-DNA International Journal of Quantum Chemistry. 24: 11-30. DOI: 10.1002/Qua.560240706 |
0.544 |
|
| 2009 |
Clementi E, Corongiu G, Gratarola M, Habitz P, Lupo C, Otto P, Vercauteren D. Theoretical and computational chemistry of complex systems: Solvation of DNA and proteins International Journal of Quantum Chemistry. 22: 409-433. DOI: 10.1002/Qua.560220840 |
0.617 |
|
| 2009 |
Clementi E. Study of the electronic structure of molecules. XI. Comments on some present aspects and tentative extrapolations International Journal of Quantum Chemistry. 3: 179-205. DOI: 10.1002/Qua.560030723 |
0.399 |
|
| 2008 |
Clementi E, Corongiu G. From atomic and molecular orbitals to chemical orbitals International Journal of Quantum Chemistry. 108: 1758-1771. DOI: 10.1002/Qua.21614 |
0.363 |
|
| 2007 |
Clementi E, Corongiu G. Merging two traditional methods: the Hartree–Fock and the Heitler–London and adding density functional correlation corrections Theoretical Chemistry Accounts. 118: 453-471. DOI: 10.1007/S00214-007-0336-0 |
0.376 |
|
| 2005 |
Clementi E, Corongiu G. Comments on computational chemistry: From diatomic molecules to large biochemical systems International Journal of Quantum Chemistry. 105: 709-730. DOI: 10.1002/Qua.20656 |
0.325 |
|
| 2000 |
Clementi E. Ab initio computations in atoms and molecules Ibm Journal of Research and Development. 44: 228-245. DOI: 10.1147/Rd.441.0228 |
0.401 |
|
| 1998 |
Clementi E, Corongiu G. Molecular correlation energy with the HF–CC method1Work presented at the 9th International Congress in Quantum Chemistry, Atlanta, Georgia, June 1997, and at the International Conference on Electron Correlation, Örenäs Slott, Sweden, September 1997.1 Chemical Physics Letters. 282: 335-346. DOI: 10.1016/S0009-2614(97)01242-6 |
0.384 |
|
| 1997 |
Clementi E, Corongiu G. Note on the atomic correlation energy International Journal of Quantum Chemistry. 62: 571-591. DOI: 10.1002/(Sici)1097-461X(1997)62:6<571::Aid-Qua2>3.0.Co;2-T |
0.389 |
|
| 1996 |
Estrin DA, Paglieri L, Corongiu G, Clementi E. Small Clusters of Water Molecules Using Density Functional Theory The Journal of Physical Chemistry. 100: 8701-8711. DOI: 10.1021/Jp950696W |
0.35 |
|
| 1996 |
Corongiu G, Estrin D, Murgia G, Paglieri L, Pisani L, Valli GS, Watts J, Clementi E. Revisiting the potential energy surface for [H3N ��� HCl]: An ab initio and density functional theory investigation International Journal of Quantum Chemistry. 59: 119-134. DOI: 10.1002/(Sici)1097-461X(1996)59:2<119::Aid-Qua4>3.0.Co;2-0 |
0.315 |
|
| 1996 |
Pisani L, Windt LD, Clementi E. Comments On The Topic Computation Of Large Molecules International Journal of Quantum Chemistry. 58: 219-240. DOI: 10.1002/(Sici)1097-461X(1996)58:3<219::Aid-Qua1>3.0.Co;2-0 |
0.315 |
|
| 1995 |
De Windt L, Hofman DWM, Pisani L, Clementi E. Extension of the Coulomb-Hole-Hartree-Fock theory to molecules International Journal of Quantum Chemistry. 53: 131-147. DOI: 10.1002/Qua.560530202 |
0.397 |
|
| 1993 |
Corongiu G, Clementi E. Molecular dynamics simulations with a flexible and polarizable potential: Density of states for liquid water at different temperatures The Journal of Chemical Physics. 98: 4984-4990. DOI: 10.1063/1.465105 |
0.354 |
|
| 1993 |
Corongiu G, Clementi E. Solvated water molecules and hydrogen‐bridged networks in liquid water The Journal of Chemical Physics. 98: 2241-2249. DOI: 10.1063/1.464204 |
0.352 |
|
| 1993 |
Pisani L, Andre J, Andre M, Clementi E. Study of relativistic effects in atoms and molecules by the kinetically balanced LCAO approach: Ground state of hydrogen and of hydrogenic atoms in Slater and Gaussian basis functions Journal of Chemical Education. 70: 894. DOI: 10.1021/Ed070P894 |
0.54 |
|
| 1993 |
Clementi E, Corongiu G, Sciortino F. Liquid and solid phases of water: an extensive molecular dynamics simulation with an ab initio polarizable potential Journal of Molecular Structure. 296: 205-213. DOI: 10.1016/0022-2860(93)80135-I |
0.361 |
|
| 1993 |
Corongiu G, Clementi E. Liquid water: density of states spectra of solvated water molecules with specific coordination Chemical Physics Letters. 214: 367-372. DOI: 10.1016/0009-2614(93)85652-5 |
0.38 |
|
| 1993 |
Matsuoka O, Pisani L, Clementi E. All-electron Dirac—Fock—Roothaan calculations on lead oxide Chemical Physics Letters. 202: 13-17. DOI: 10.1016/0009-2614(93)85343-M |
0.368 |
|
| 1993 |
Clementi E, Corongiu G, Estrin D, Hollauer E, Stradella OG. Time scales and other problems in linking simulations of simple chemical systems to more complex ones International Journal of Quantum Chemistry. 45: 511-544. DOI: 10.1002/Qua.560450605 |
0.336 |
|
| 1992 |
Corongiu G, Clementi E. Liquid water with anabinitiopotential: X‐ray and neutron scattering from 238 to 368 K The Journal of Chemical Physics. 97: 2030-2038. DOI: 10.1063/1.463140 |
0.327 |
|
| 1992 |
Bhattacharya DK, Clementi E, Xue W. Stochastic dynamic simulation of a protein International Journal of Quantum Chemistry. 42: 1397-1408. DOI: 10.1002/Qua.560420516 |
0.334 |
|
| 1992 |
Aida M, Corongiu G, Clementi E. Ab initio force field for simulations of proteins and nucleic acids International Journal of Quantum Chemistry. 42: 1353-1381. DOI: 10.1002/Qua.560420514 |
0.367 |
|
| 1992 |
Corongiu G, Clementi E. Comments on the carbon cluster C60
and on its complexes with alkaline elements International Journal of Quantum Chemistry. 42: 1185-1208. DOI: 10.1002/Qua.560420508 |
0.353 |
|
| 1991 |
Preiskorn A, Frye D, Clementi E. Gaussian functions in Hylleraas‐configuration‐interaction calculations. VI. The first excited state of H+3 The Journal of Chemical Physics. 94: 7204-7207. DOI: 10.1063/1.460202 |
0.328 |
|
| 1991 |
Rizzo A, Clementi E, Sekiya M. Correlation energies in the isoelectronic series of He, Li, Be and Ne Chemical Physics Letters. 177: 477-482. DOI: 10.1016/0009-2614(91)85087-D |
0.404 |
|
| 1991 |
Mohanty A, Clementi E. Dirac-Fock self-consistent field method for closed-shell molecules with kinetic balance and finite nuclear size International Journal of Quantum Chemistry. 39: 487-517. DOI: 10.1002/Qua.560390322 |
0.318 |
|
| 1991 |
Frye D, Preiskorn A, Clementi E. The Hylleraas-CI method in molecular calculations. III. Implementation and numerical verification of a three-electron many-center theory Journal of Computational Chemistry. 12: 560-564. DOI: 10.1002/Jcc.540120505 |
0.32 |
|
| 1990 |
Fornili SL, Vercauteren DP, Clementi E. Water structure in the Gramicidin A transmembrane channel. Journal of Biomolecular Structure & Dynamics. 1: 1281-97. PMID 6086054 DOI: 10.1080/07391102.1984.10507517 |
0.579 |
|
| 1990 |
Clementi E, Chakravorty SJ. A comparative study of density functional models to estimate molecular atomization energies The Journal of Chemical Physics. 93: 2591-2602. DOI: 10.1063/1.458899 |
0.371 |
|
| 1990 |
Frye D, Preiskorn A, Lie GC, Clementi E. Gaussian functions in Hylleraas‐configuration interaction calculations. V. An accurate ab initio H+3 potential‐energy surface The Journal of Chemical Physics. 92: 4948-4955. DOI: 10.1063/1.457712 |
0.376 |
|
| 1990 |
Preiskorn A, Lie GC, Frye D, Clementi E. Gaussian functions in Hylleraas‐configuration interaction calculations: Potential curves for the e 3∑+u and the f 3∑+u states of hydrogen The Journal of Chemical Physics. 92: 4941-4947. DOI: 10.1063/1.457711 |
0.301 |
|
| 1990 |
Niesar U, Corongiu G, Clementi E, Kneller GR, Bhattacharya DK. Molecular dynamics simulations of liquid water using the NCC ab initio potential The Journal of Physical Chemistry. 94: 7949-7956. DOI: 10.1021/J100383A037 |
0.34 |
|
| 1989 |
Chakravorty SJ, Clementi E. Soft Coulomb hole for the Hartree-Fock model to estimate atomic correlation energies. Physical Review A. 39: 2290-2296. PMID 9901494 DOI: 10.1103/Physreva.39.2290 |
0.382 |
|
| 1989 |
Swamy KN, Clementi E. Orientational and rotational velocity correlation functions for water-hydrating B- and Z-DNA double helices. Biopolymers. 28: 1497-504. PMID 2550093 DOI: 10.1002/Bip.360280902 |
0.355 |
|
| 1989 |
Flores JR, Clementi E, Sonnad V. Solution of atomic Hartree–Fock equations with the P version of the finite element method The Journal of Chemical Physics. 91: 7030-7038. DOI: 10.1063/1.457320 |
0.3 |
|
| 1989 |
Frye D, Lie GC, Clementi E. Gaussian functions in Hylleraas‐configuration interaction calculations. III. Wave functions for the X 1ξ+g state of hydrogen The Journal of Chemical Physics. 91: 2369-2372. DOI: 10.1063/1.457046 |
0.344 |
|
| 1989 |
Frye D, Lie GC, Clementi E. Gaussian functions in Hylleraas‐configuration interaction calculations. II. Potential curves for the b 3Σ+u and the e 3Σ+u states of hydrogen The Journal of Chemical Physics. 91: 2366-2368. DOI: 10.1063/1.457045 |
0.339 |
|
| 1989 |
Corongiu G, Migliore M, Clementi E. Hydration free energy for Li+ at infinite dilution with a three-body ab initio potential The Journal of Chemical Physics. 90: 4629-4630. DOI: 10.1063/1.456603 |
0.326 |
|
| 1989 |
Leherte L, Vercauteren DP, Derouane EG, Lie GC, Clementi E, Andre J-. Effects of Long-Range Interactions in Zeolites-Like Systems: Dynamical Behavior of Water in Ferrierite From Molecular Dynamics Simulation Studies in Surface Science and Catalysis. 49: 773-783. DOI: 10.1016/S0167-2991(08)61964-3 |
0.607 |
|
| 1989 |
Evans M, Lie G, Clementi E. On the absence of sample size effects in the computation of cross-correlation functions in liquid water Journal of Molecular Liquids. 40: 89-99. DOI: 10.1016/0167-7322(89)80038-8 |
0.337 |
|
| 1989 |
Mohanty AK, Clementi E. Kinetically balanced geometric Gaussian basis set calculations for relativistic many-electron atoms with finite nuclear size Chemical Physics Letters. 157: 348-352. DOI: 10.1016/0009-2614(89)87260-4 |
0.354 |
|
| 1989 |
Flores J, Clementi E, Sonnad V. A p-version finite-element approach for atomic hartree-fock calculations Chemical Physics Letters. 163: 198-201. DOI: 10.1016/0009-2614(89)80034-X |
0.309 |
|
| 1989 |
Clementi E, Chin S, Corongiu G, Detrich JH, Dupuis M, Folsom D, Lie GC, Logan D, Sonnad V. Supercomputing and supercomputers for science and engineering in general and for chemistry and biosciences in particular International Journal of Quantum Chemistry. 35: 3-89. DOI: 10.1002/Qua.560350103 |
0.309 |
|
| 1988 |
Evans MW, Swamy KN, Lie GC, Clementi E. Computer Simulation of the Structures and Cross Correlation Functions of Spherical-Top Molecules in the Liquid State Molecular Simulation. 1: 187-206. DOI: 10.1080/08927028808080942 |
0.361 |
|
| 1988 |
Evans MW, Lie GC, Clementi E. Molecular dynamics simulation of water from 10 to 1273 K The Journal of Chemical Physics. 88: 5157-5165. DOI: 10.1063/1.454670 |
0.329 |
|
| 1988 |
Migliore M, Corongiu G, Clementi E, Lie GC. Monte Carlo study of free energy of hydration for Li+, Na +, K+, F-, and Cl- with ab initio potentials The Journal of Chemical Physics. 88: 7766-7771. DOI: 10.1063/1.454289 |
0.395 |
|
| 1988 |
Urdaneta C, Largo‐Cabrerizo A, Lievin J, Lie GC, Clementi E. Gaussian functions in hylleraas‐CI calculations. I. Ground state energies for H2, HeH+, and H+3 The Journal of Chemical Physics. 88: 2091-2093. DOI: 10.1063/1.454090 |
0.321 |
|
| 1988 |
Evans MW, Luken W, Lie GC, Clementi E. Molecular dynamics simulation of direct laboratory frame cross correlations in spherical, plate‐like, and rod‐like molecules The Journal of Chemical Physics. 88: 2685-2691. DOI: 10.1063/1.453997 |
0.331 |
|
| 1988 |
Evans M, Lie G, Clementi E. Nonlinear effects in molecular dynamics of water: Large sample computer simulation of rise and fall transients Physics Letters A. 130: 289-292. DOI: 10.1016/0375-9601(88)90612-3 |
0.331 |
|
| 1988 |
Evans M, Lie G, Clementi E. Molecular dynamics computer simulation of the rod-like molecule methyl hexa-tri-yne : Comparison with Doi/Edwards and Frenkel/Maguire theories. Journal of Molecular Liquids. 39: 1-24. DOI: 10.1016/0167-7322(88)80046-1 |
0.362 |
|
| 1988 |
Leherte L, Lie GC, Swamy KN, Clementi E, Derouane EG, André JM. Determination of the self-diffusion coefficient of water in ferrierite by molecular dynamics Chemical Physics Letters. 145: 237-241. DOI: 10.1016/0009-2614(88)80186-6 |
0.32 |
|
| 1988 |
Hermansson K, Lie GC, Clementi E. Ab initio pair potentials for the ionic lithium-formate system Theoretica Chimica Acta. 74: 11-22. DOI: 10.1007/Bf00570549 |
0.381 |
|
| 1988 |
Hermansson K, Lie GC, Clementi E. Anab initio pair potential for the interaction between a water molecule and a formate ion Theoretica Chimica Acta. 74: 1-10. DOI: 10.1007/Bf00570548 |
0.414 |
|
| 1988 |
Hermansson K, Lie GC, Clementi E. On velocity scaling in molecular dynamics simulations Journal of Computational Chemistry. 9: 200-203. DOI: 10.1002/Jcc.540090303 |
0.308 |
|
| 1987 |
Evans MW, Lie GC, Clementi E. Molecular dynamics of liquid water in a circularly polarized external field The Journal of Chemical Physics. 87: 6040-6045. DOI: 10.1063/1.453476 |
0.316 |
|
| 1987 |
Refson K, Lie GC, Clementi E. The effect of molecular vibrations on calculated second virial coefficients The Journal of Chemical Physics. 87: 3634-3638. DOI: 10.1063/1.452959 |
0.363 |
|
| 1987 |
Evans M, Lie G, Clementi E. A molecular dynamics simulation of rotational flow induced by a left circularly polarized high-energy infrared laser field Chemical Physics Letters. 138: 149-152. DOI: 10.1016/0009-2614(87)80358-5 |
0.33 |
|
| 1987 |
Largo-Cabrerizo A, Urdaneta C, Lie GC, Clementi E. The Hylleraas-CI integrals in molecular, calculations. II. Three-and four-electron integrals and tests for two-electron many-center integrals International Journal of Quantum Chemistry. 32: 677-692. DOI: 10.1002/Qua.560320767 |
0.316 |
|
| 1987 |
Largo-Cabrerizo A, Clementi E. The Hylleraas‐CI method in molecular calculations: Two‐electron integrals Journal of Computational Chemistry. 8: 1191-1198. DOI: 10.1002/Jcc.540080816 |
0.34 |
|
| 1987 |
Kim KS, Clementi E. Hydration structures and energetics of phospholipid Journal of Computational Chemistry. 8: 57-66. DOI: 10.1002/Jcc.540080108 |
0.4 |
|
| 1986 |
Lie GC, Clementi E. Molecular-dynamics simulation of liquid water with an ab initio flexible water-water interaction potential. Physical Review A. 33: 2679-2693. PMID 9896953 DOI: 10.1103/Physreva.33.2679 |
0.392 |
|
| 1986 |
Wojcik M, Clementi E. Collective dynamics in three body water and sound dispersion The Journal of Chemical Physics. 85: 6085-6092. DOI: 10.1063/1.451526 |
0.305 |
|
| 1986 |
Wojcik M, Clementi E. Single molecule dynamics of three body water The Journal of Chemical Physics. 85: 3544-3549. DOI: 10.1063/1.450926 |
0.346 |
|
| 1986 |
Swaminathan PK, Laaksonen A, Corongiu G, Clementi E. Accurate theoretical modeling of NaCl The Journal of Chemical Physics. 84: 867-871. DOI: 10.1063/1.450531 |
0.395 |
|
| 1986 |
Kim K, Dupuis M, Lie G, Clementi E. Revisiting small clusters of water molecules Chemical Physics Letters. 131: 451-456. DOI: 10.1016/0009-2614(86)80564-4 |
0.503 |
|
| 1986 |
Swaminathan PK, Vercauteren DP, Kim KS, Clementi E. Interaction of phospholipids (Lysophosphatidylethanolamines) with water and sodium cation Journal of Biological Physics. 14: 49-56. DOI: 10.1007/Bf01858693 |
0.652 |
|
| 1986 |
KIM KS, CLEMENTI E. ChemInform Abstract: Energetics and Hydration Structures of a Solvated Gramicidin A Transmembrane Channel for K+and Na+Cations. Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198601063 |
0.401 |
|
| 1985 |
Kim KS, Vercauteren DP, Welti M, Chin S, Clementi E. Interaction of K+ ion with the solvated gramicidin A transmembrane channel. Biophysical Journal. 47: 327-35. PMID 2579687 DOI: 10.1016/S0006-3495(85)83923-0 |
0.631 |
|
| 1985 |
Laaksonen A, Clementi E. Theoretical study of some gas, liquid and crystal properties of sodium chloride usingab initiopotentials Molecular Physics. 56: 495-524. DOI: 10.1080/00268978500102491 |
0.364 |
|
| 1985 |
Kim KS, Clementi E. Energetics and hydration structures of a solvated gramicidin A transmembrane channel for potassium and sodium cations Journal of the American Chemical Society. 107: 5504-5513. DOI: 10.1021/Ja00305A030 |
0.4 |
|
| 1985 |
Lie GC, Corongiu G, Clementi E. Calculation of the third virial coefficients for water using ab initio two-body and three-body potentials The Journal of Physical Chemistry. 89: 4131-4134. DOI: 10.1021/J100265A041 |
0.311 |
|
| 1985 |
Kim KS, Nguyen HL, Swaminathan PK, Clementi E. Sodium(1+) and potassium(1+) ion transport through a solvated gramicidin A transmembrane channel: molecular dynamics studies using parallel processors The Journal of Physical Chemistry. 89: 2870-2876. DOI: 10.1021/J100259A033 |
0.407 |
|
| 1985 |
Clementi E, Corongiu G, Detrich JH, Kahnmohammadbaigi H, Chin S, Domingo L, Laaksonen A, Nguyen NL. Parallelism in computational chemistry: Applications in quantum and statistical mechanics Physica B+C. 131: 74-102. DOI: 10.1016/0378-4363(85)90142-1 |
0.325 |
|
| 1985 |
Nguyen HL, Khanmohammadbaigi H, Clementi E. A parallel molecular dynamics strategy Journal of Computational Chemistry. 6: 634-646. DOI: 10.1002/Jcc.540060617 |
0.327 |
|
| 1985 |
Kim KS, Clementi E. Energetics and pattern analysis of crystals of proflavine deoxydinucleoside phosphate complex Journal of the American Chemical Society. 107: 227-234. DOI: 10.1002/Chin.198519070 |
0.353 |
|
| 1984 |
Fornili SL, Vercauteren DP, Clementi E. Water structure in the Gramicidin A transmembrane channel. Biochimica Et Biophysica Acta. 771: 151-64. PMID 6200136 DOI: 10.1016/0005-2736(84)90527-3 |
0.574 |
|
| 1984 |
Fornili SL, Migliore M, Vercauteren DP, Clementi E. MONTE CARLO SIMULATION OF WATER INTERACTION WITH GRAMICIDIN A TRANSMEMBRANE CHANNEL : HYDROGEN BOND ANALYSIS Le Journal De Physique Colloques. 45: C7-219-C7-223. DOI: 10.1051/JPHYSCOL:1984724 |
0.532 |
|
| 1984 |
Fornili S, Vercauteren D, Clementi E. Water structure in the gramicidin a transmembrane channel Journal of Molecular Catalysis. 23: 341-356. DOI: 10.1016/0304-5102(84)80020-6 |
0.506 |
|
| 1984 |
Ortoleva E, Castiglione G, Clementi E. A program to introduce local symmetry in AB-initio computations of molecules: IBMOL-7 Computer Physics Communications. 19: 337-357. DOI: 10.1016/0010-4655(80)90088-0 |
0.31 |
|
| 1984 |
Detrich J, Corongiu G, Clementi E. Monte Carlo liquid water simulation with four-body interactions included Chemical Physics Letters. 112: 426-430. DOI: 10.1016/0009-2614(84)85562-1 |
0.344 |
|
| 1984 |
Clementi E, Corongiu G, Detrich J, Chin S, Domingo L. Parallelism in quantum chemistry: Hydrogen bond study in DNA base pairs as an example International Journal of Quantum Chemistry. 26: 601-618. DOI: 10.1002/Qua.560260854 |
0.366 |
|
| 1984 |
Laaksonen A, Corongiu G, Clementi E. Theoretical modeling of sodium chloride and related systems. I. The interaction energies International Journal of Quantum Chemistry. 26: 131-140. DOI: 10.1002/Qua.560260816 |
0.383 |
|
| 1983 |
Kim KS, Corongiu G, Clementi E. Networks of water molecules in a proflavine deoxydinucleoside phosphate complex. Journal of Biomolecular Structure & Dynamics. 1: 263-85. PMID 6400874 DOI: 10.1080/07391102.1983.10507439 |
0.494 |
|
| 1983 |
Bolis G, Clementi E, Wertz DH, Scheraga HA, Tosi C. Interaction of methane and methanol with water Journal of the American Chemical Society. 105: 355-360. DOI: 10.1021/Ja00341A010 |
0.372 |
|
| 1983 |
Clementi E, Corongiu G. Structure of aggregates of water and Li+, Na+, or K+ counterions with nucleic acid in solution Journal of Biological Physics. 11: 33-42. DOI: 10.1007/Bf01872938 |
0.315 |
|
| 1983 |
Habitz P, Bagus P, Siegbahn P, Clementi E. Electronic correlation contribution to the three-body potentials for water trimers International Journal of Quantum Chemistry. 23: 1803-1806. DOI: 10.1002/Qua.560230509 |
0.538 |
|
| 1983 |
WELTI M, PRETSCH E, CLEMENTI E, SIMON W. ChemInform Abstract: INTERACTION OF CALCIUM(2+) AND MAGNESIUM(2+) WITH IONOPHORES STUDIED BY USING A PAIR-POTENTIAL MODEL BASED ON AB INITIO CALCULATIONS Chemischer Informationsdienst. 14. DOI: 10.1002/Chin.198313075 |
0.3 |
|
| 1983 |
Ranghino G, Clementi E, Romano S. Lysinium, argininum, glutamate, and aspartate ions in water solution Biopolymers. 22: 1449-1460. DOI: 10.1002/Bip.360220603 |
0.383 |
|
| 1982 |
Clementi E, Corongiu G. Simulations of the solvent structure for macromolecules. III. Determination of the Na+ counter ion structure. Biopolymers. 21: 763-77. PMID 7082765 DOI: 10.1002/Bip.360210404 |
0.361 |
|
| 1982 |
Clementi E, Corongiu G. Geometrical basis set for molecular computations Chemical Physics Letters. 90: 359-363. DOI: 10.1016/0009-2614(82)83069-8 |
0.36 |
|
| 1982 |
Bolis G, Corongiu G, Clementi E. Methanol in water solution at 300 K Chemical Physics Letters. 86: 299-306. DOI: 10.1016/0009-2614(82)80210-8 |
0.365 |
|
| 1982 |
Clementi E, Corongiu G. B-DNA structural determination of Na+ counterions at different humidities, ionic concentrations, and temperatures International Journal of Quantum Chemistry. 22: 595-630. DOI: 10.1002/Qua.560220311 |
0.409 |
|
| 1982 |
Welti M, Pretsch E, Clementi E, Simon W. Interaction of Ca2+ and Mg2+ with Ionophores Studied by Using a Pair-Potential Model Based onab initio Calculations Helvetica Chimica Acta. 65: 1996-2007. DOI: 10.1002/Hlca.19820650707 |
0.356 |
|
| 1981 |
Clementi E, Corongiu G. Simulations of the solvent structure for macromolecules: solvation model for B-DNA and Na+-B-DNA double helix at 300 degrees K. Annals of the New York Academy of Sciences. 367: 83-107. PMID 6942765 DOI: 10.1111/J.1749-6632.1981.Tb50563.X |
0.369 |
|
| 1981 |
Clementi E. Computer simulations of complex chemical systems: solvation of DNA and solvent effects in conformational transitions Ibm Journal of Research and Development. 25: 315-326. DOI: 10.1147/Rd.254.0315 |
0.375 |
|
| 1981 |
Bolis G, Clementi E. Methane in aqueous solution at 300 K Chemical Physics Letters. 82: 147-152. DOI: 10.1016/0009-2614(81)85126-3 |
0.389 |
|
| 1981 |
Corongiu G, Clementi E. Simulations of the solvent structure for macromolecules. II. Structure of water solvating Na+-B-DNA at 300 K and a model for conformational transitions induced by solvent variations Biopolymers. 20: 2427-2483. DOI: 10.1002/Bip.1981.360201111 |
0.376 |
|
| 1981 |
Corongiu G, Clementi E. Simulations of the solvent structure for macromolecules. I. Solvation of B-DNA double helix at T = 300 K† Biopolymers. 20: 551-571. DOI: 10.1002/Bip.1981.360200309 |
0.392 |
|
| 1980 |
Clementi E, Corongiu G, Jönsson B, Romano S. Monte Carlo simulations of water clusters around Zn++ and a linear Zn++⋅CO2 complex The Journal of Chemical Physics. 72: 260-263. DOI: 10.1063/1.438886 |
0.355 |
|
| 1980 |
Clementi E. Solvent–solute interactions by quantum-mechanical and statistical mechanical simulations Inorganica Chimica Acta. 40: X39. DOI: 10.1016/S0020-1693(00)92091-7 |
0.322 |
|
| 1980 |
Clementi E, Corongiu G. ab-initio computations in biomolecules: electronic charge variations due to the solvent field Inorganica Chimica Acta. 40: X26. DOI: 10.1016/S0020-1693(00)92070-X |
0.347 |
|
| 1980 |
Clementi E, Kistenmacher H, Kołos W, Romano S. Non-additivity in water-ion-water interactions Theoretica Chimica Acta. 55: 257-266. DOI: 10.1007/Bf00549424 |
0.333 |
|
| 1980 |
Ko?os W, Corongiu G, Clementi E. Theoretical study of some Van der Waals molecules International Journal of Quantum Chemistry. 17: 775-798. DOI: 10.1002/Qua.560170417 |
0.373 |
|
| 1980 |
Ko?os W, Ranghino G, Clementi E, Novaro O. Interaction of methane molecules International Journal of Quantum Chemistry. 17: 429-448. DOI: 10.1002/Qua.560170305 |
0.389 |
|
| 1980 |
Clementi E, Ko?os W, Lie GC, Ranghino G. Nonadditivity of interaction in water trimers International Journal of Quantum Chemistry. 17: 377-398. DOI: 10.1002/Qua.560170302 |
0.3 |
|
| 1979 |
Tosi C, Pescatori E, Clementi E. Conformational studies on polynucleotide chains. IV. Backbone structure of ribonucleic acids. Biopolymers. 18: 203-23. PMID 435598 DOI: 10.1002/Bip.1979.360180115 |
0.395 |
|
| 1979 |
Corongiu G, Clementi E, Pretsch E, Simon W. Ab initio calculations of the interaction of ions with neutral ligands: I. Pair potentials for Na+/ether, Na+/thioether, and Na+/amide systems The Journal of Chemical Physics. 70: 1266-1274. DOI: 10.1063/1.437564 |
0.379 |
|
| 1978 |
Tosi C, Clementi E, Matsuoka O. Conformational studies on polynucleotide chains. III. Intramolecular energy maps and comparison with experiments. Biopolymers. 17: 67-84. PMID 623885 DOI: 10.1002/Bip.1978.360170106 |
0.333 |
|
| 1978 |
Tosi C, Clementi E, Matsuoka O. Conformational studies on polynucleotide chains. II. Analysis of steric interactions and derivation of potential functions for internal rotations. Biopolymers. 17: 51-66. PMID 623884 DOI: 10.1002/Bip.1978.360170105 |
0.387 |
|
| 1978 |
Matsuoka O, Tosi C, Clementi E. Conformational studies on polynucleotide chains. I. Hartree-Fock energies and description of nonbonded interactions with Lennard-Jones potentials. Biopolymers. 17: 33-49. PMID 623883 DOI: 10.1002/Bip.1978.360170104 |
0.409 |
|
| 1978 |
Clementi E, Barsotti R. Study of the structure of molecular complexes. Coordination numbers for Li+, Na+, K+, F− and Cl− in water Chemical Physics Letters. 59: 21-25. DOI: 10.1016/0009-2614(78)85605-X |
0.341 |
|
| 1978 |
Romano S, Clementi E. Monte carlo simulation of water solvent with biomolecules. Glycine and the corresponding zwitterion International Journal of Quantum Chemistry. 14: 839-850. DOI: 10.1002/Qua.560140614 |
0.419 |
|
| 1977 |
Scordamaglia R, Cavallone F, Clementi E. Analytical potentials from "ab initio" computations for the interaction between biomolecules. 2. Water with the bases of DNA. Journal of the American Chemical Society. 99: 5545-50. PMID 886117 DOI: 10.1021/Ja00459A002 |
0.347 |
|
| 1977 |
Clementi E, Cavallone F, Scordamaglia R. Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acids. Journal of the American Chemical Society. 99: 5531-45. PMID 886116 DOI: 10.1002/Chin.197747080 |
0.331 |
|
| 1977 |
Bosi P, Zerbi G, Clementi E. Dynamical charge transfer through hydrogen bonds: Hartree–Fock calculations of vibrational properties of formic acid monomer and cyclic dimer The Journal of Chemical Physics. 66: 3376-3386. DOI: 10.1063/1.434423 |
0.335 |
|
| 1977 |
Clementi E, Ranghino G, Scordamaglia R. Intermolecular pontentials: Interaction of water with lysozyme Chemical Physics Letters. 49: 218-224. DOI: 10.1016/0009-2614(77)80573-3 |
0.377 |
|
| 1976 |
Matsuoka O, Clementi E, Yoshimine M. CI study of the water dimer potential surface The Journal of Chemical Physics. 64: 1351-1361. DOI: 10.1063/1.432402 |
0.391 |
|
| 1976 |
Clementi E, Barsotti R, Fromm J, Watts RO. Study of the structure of molecular complexes Theoretica Chimica Acta. 43: 101-120. DOI: 10.1007/Bf00547251 |
0.311 |
|
| 1975 |
Kress JW, Clementi E, Kozak JJ, Schwartz ME. Study of the structure of molecular complexes. IX. The Hartree–Fock energy surface for the H2O–Li–F complex The Journal of Chemical Physics. 63: 3907. DOI: 10.1063/1.431832 |
0.777 |
|
| 1975 |
Cavallone F, Clementi E. Electronic structure of TTF–TCNQ complex The Journal of Chemical Physics. 63: 4304-4307. DOI: 10.1063/1.431145 |
0.365 |
|
| 1975 |
Chan ER, Clementi E, Kress JW, Lie GC. Study of the structure of molecular complexes. X. Dipole moment surface for the lithium–fluoride–water complex The Journal of Chemical Physics. 62: 2026-2028. DOI: 10.1063/1.430789 |
0.739 |
|
| 1975 |
Fromm J, Clementi E, Watts RO. Coordination number for the Li+–F− ion pair in water The Journal of Chemical Physics. 62: 1388-1398. DOI: 10.1063/1.430596 |
0.346 |
|
| 1974 |
Watts RO, Clementi E, Fromm J. A theoretical study of the lithium fluoride molecule in water The Journal of Chemical Physics. 61: 2550-2555. DOI: 10.1063/1.1682378 |
0.343 |
|
| 1974 |
Roetti C, Clementi E. Analytical Hartree‐Fock functions for positive ions from lithium to xenon The Journal of Chemical Physics. 61: 2062-2063. DOI: 10.1063/1.1682212 |
0.362 |
|
| 1974 |
Kistenmacher H, Popkie H, Clementi E. Study of the structure of molecular complexes. VIII. Small clusters of water molecules surrounding Li+, Na+, K+, F−, and Cl− ions The Journal of Chemical Physics. 61: 799-815. DOI: 10.1063/1.1682019 |
0.377 |
|
| 1974 |
Kistenmacher H, Lie GC, Popkie H, Clementi E. Study of the structure of molecular complexes. VI. Dimers and small clusters of water molecules in the Hartree‐Fock approximation The Journal of Chemical Physics. 61: 546-561. DOI: 10.1063/1.1681930 |
0.398 |
|
| 1974 |
Lie GC, Clementi E. Study of the electronic structure of molecules XXII. Additional ab initio computations for the barrier to internal rotation in polynucleotide chains The Journal of Chemical Physics. 60: 3005-3010. DOI: 10.1063/1.1681482 |
0.365 |
|
| 1974 |
Lie GC, Clementi E. Study of the electronic structure of molecules. XXII. Correlation energy corrections as a functional of the Hartree‐Fock type density and its application to the homonuclear diatomic molecules of the second row atoms The Journal of Chemical Physics. 60: 1288-1296. DOI: 10.1063/1.1681193 |
0.366 |
|
| 1974 |
Lie GC, Clementi E. Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree‐Fock density and its application to the hydrides of the second row atoms The Journal of Chemical Physics. 60: 1275-1287. DOI: 10.1063/1.1681192 |
0.373 |
|
| 1974 |
Roetti C, Clementi E. Simple basis sets for molecular wavefunctions containing atoms from Z = 2 to Z = 54 The Journal of Chemical Physics. 60: 4725-4729. DOI: 10.1063/1.1680973 |
0.338 |
|
| 1974 |
Kistenmacher H, Popkie H, Clementi E, Watts RO. Study of the structure of molecular complexes. VII. Effect of correlation energy corrections to the Hartree‐Fock water‐water potential on Monte Carlo simulations of liquid water The Journal of Chemical Physics. 60: 4455-4465. DOI: 10.1063/1.1680923 |
0.402 |
|
| 1974 |
Batra IP, Bagus PS, Clementi E, Seki H. Ab initio Calculations for the electronic structure of carbazole and trinitrofluorenone Theoretica Chimica Acta. 32: 279-293. DOI: 10.1007/Bf00526864 |
0.332 |
|
| 1974 |
BATRA IP, BAGUS PS, CLEMENTI E, SEKI H. ChemInform Abstract: AB INITIO CALCULATIONS FOR THE ELECTRONIC STRUCTURE OF CARBAZOLE AND 2,4,7-TRINITROFLUORENONE Chemischer Informationsdienst. 5: no-no. DOI: 10.1002/Chin.197417088 |
0.327 |
|
| 1973 |
Popkie H, Kistenmacher H, Clementi E. Study of the structure of molecular complexes. IV. The Hartree‐Fock potential for the water dimer and its application to the liquid state The Journal of Chemical Physics. 59: 1325-1336. DOI: 10.1063/1.1680187 |
0.427 |
|
| 1973 |
Kistenmacher H, Popkie H, Clementi E. Study of the structure of molecular complexes. V. Heat of formation for the Li+, Na+, K+, F−, and Cl− ion complexes with a single water molecule The Journal of Chemical Physics. 59: 5842-5848. DOI: 10.1063/1.1679952 |
0.401 |
|
| 1973 |
Clementi E, Kistenmacher H, Popkie H. Study of the electronic structure of molecules. XVIII. Interaction between a lithium atom and a cyano group as an example of a polytopic bond The Journal of Chemical Physics. 58: 2460-2466. DOI: 10.1063/1.1679525 |
0.363 |
|
| 1973 |
Kistenmacher H, Popkie H, Clementi E. Study of the structure of molecular complexes. II. Energy surfaces for a water molecule in the field of a sodium or potassium cation The Journal of Chemical Physics. 58: 1689-1699. DOI: 10.1063/1.1679414 |
0.406 |
|
| 1973 |
Kistenmacher H, Popkie H, Clementi E. Study of the structure of molecular complexes. III. Energy surface of a water molecule in the field of a fluorine or chlorine anion The Journal of Chemical Physics. 58: 5627-5638. DOI: 10.1063/1.1679186 |
0.426 |
|
| 1973 |
Bagus P, Batra I, Clementi E. Carbazole and trinitrofluorenone: an ab initio investigation of ionization potentials, electron affinities and excited states Chemical Physics Letters. 23: 305-310. DOI: 10.1016/0009-2614(73)85083-3 |
0.363 |
|
| 1972 |
Clementi E. Computation of large molecules with the hartree-fock model. Proceedings of the National Academy of Sciences of the United States of America. 69: 2942-2944. PMID 16592020 DOI: 10.1073/Pnas.69.10.2942 |
0.393 |
|
| 1972 |
Clementi E, Popkie H. Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive Ion The Journal of Chemical Physics. 57: 1077-1094. DOI: 10.1063/1.1678361 |
0.429 |
|
| 1972 |
Clementi E, Popkie H. Study of the Electronic Structure of Molecules. XVII. Analysis of the Formation of the Acetylene, Ethylene, and Ethane Molecules in the Hartree‐Fock Model The Journal of Chemical Physics. 57: 4870-4883. DOI: 10.1063/1.1678158 |
0.314 |
|
| 1972 |
Clementi E, Popkie H. Electronic structure of molecules. XVI. Analysis of the formation of the methane molecule in the Hartree-Fock model Journal of the American Chemical Society. 94: 4057-4068. DOI: 10.1021/Ja00767A001 |
0.338 |
|
| 1972 |
Clementi E, Routh A. Study of the electronic structure of molecules. XV. Comments on the molecular orbital valency state and on the molecular orbital energies International Journal of Quantum Chemistry. 6: 525-539. DOI: 10.1002/Qua.560060314 |
0.444 |
|
| 1971 |
Clementi E. Study of the Electronic Structure of Molecules. XIV. Point Charge Perturbation on Periodic Systems The Journal of Chemical Physics. 54: 2492-2498. DOI: 10.1063/1.1675205 |
0.338 |
|
| 1970 |
Rauk A, Allen LC, Clementi E. Electronic structure and inversion barrier of ammonia The Journal of Chemical Physics. 52: 4133-4144. DOI: 10.1063/1.1673621 |
0.404 |
|
| 1969 |
Clementi E, André JM, André MC, Klint D, Hahn D. Study of the electronic structure of molecules. X Acta Physica Academiae Scientiarum Hungaricae. 27: 493-521. DOI: 10.1007/Bf03156769 |
0.302 |
|
| 1968 |
Body RG, McClure DS, Clementi E. SCF Wavefunctions for the NH3 Molecule. Potential‐Energy Surface and Vibrational Force Constants The Journal of Chemical Physics. 49: 4916-4924. DOI: 10.1063/1.1669979 |
0.372 |
|
| 1967 |
Clementi E. Study of the Electronic Structure of Molecules. IV. All‐Electron SCF Wavefunction for the Ground State of Pyridine The Journal of Chemical Physics. 46: 4731-4736. DOI: 10.1063/1.1840627 |
0.372 |
|
| 1967 |
Clementi E. Study of the Electronic Structure of Molecules. II. Wavefunctions for the NH3+HCl→NH4Cl Reaction The Journal of Chemical Physics. 46: 3851-3880. DOI: 10.1063/1.1840458 |
0.388 |
|
| 1967 |
Clementi E. Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their Analysis The Journal of Chemical Physics. 46: 3842-3850. DOI: 10.1063/1.1840457 |
0.333 |
|
| 1967 |
Clementi E. Study of the Electronic Structure of Molecules. VI. Charge‐Transfer Mechanism for the NH3+HCl⇆NH4Cl Reaction The Journal of Chemical Physics. 47: 2323-2334. DOI: 10.1063/1.1703314 |
0.31 |
|
| 1967 |
Clementi E. Study of the Electronic Structure of Molecules. VIII. All‐Electron SCF Wavefunctions for Pyridine Positive Ion, 2A2 The Journal of Chemical Physics. 47: 4485-4493. DOI: 10.1063/1.1701657 |
0.347 |
|
| 1967 |
Clementi E, Gayles JN. Study of the Electronic Structure of Molecules. VII. Inner and Outer Complex in the NH4Cl Formation from NH3 and HCl The Journal of Chemical Physics. 47: 3837-3841. DOI: 10.1063/1.1701543 |
0.368 |
|
| 1964 |
Clementi E, McLean AD. Atomic Negative Ions Physical Review. 133: A419-A423. DOI: 10.1103/Physrev.133.A419 |
0.34 |
|
| 1964 |
Clementi E. Analytical Hartree—Fock Functions. IV. Isoelectronic Series for 31 to 36 Electrons and Conclusions The Journal of Chemical Physics. 41: 303-315. DOI: 10.1063/1.1725868 |
0.303 |
|
| 1964 |
Clementi E. Analytical Self‐Consistent Field Functions. III. Isoelectronic Series with 19 to 30 Electrons The Journal of Chemical Physics. 41: 295-302. DOI: 10.1063/1.1725867 |
0.313 |
|
| 1964 |
Clementi E. Simple Basis Set for Molecular Wavefunctions Containing First‐ and Second‐Row Atoms The Journal of Chemical Physics. 40: 1944-1945. DOI: 10.1063/1.1725426 |
0.374 |
|
| 1964 |
Clementi E. Approximate relativistic correction for 10–18 electrons in atoms Journal of Molecular Spectroscopy. 12: 18-22. DOI: 10.1016/0022-2852(64)90039-6 |
0.386 |
|
| 1963 |
Clementi E, McLean AD. Self‐Consistent‐Field Wavefunctions for the N3— and NO2+ Molecules The Journal of Chemical Physics. 39: 323-325. DOI: 10.1063/1.1734249 |
0.374 |
|
| 1963 |
Clementi E. Correlation Energy for Atomic Systems. II. Isoelectronic Series with 11 to 18 Electrons The Journal of Chemical Physics. 39: 175-179. DOI: 10.1063/1.1733998 |
0.351 |
|
| 1963 |
Clementi E. Correlation Energy for Atomic Systems The Journal of Chemical Physics. 38: 2248-2256. DOI: 10.1063/1.1733957 |
0.348 |
|
| 1963 |
Clementi E. Analytical Self‐Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 Electrons The Journal of Chemical Physics. 38: 996-1000. DOI: 10.1063/1.1733797 |
0.368 |
|
| 1963 |
Clementi E. Dissociation Energy Computations in Diatomic Molecules: An Example The Journal of Chemical Physics. 38: 2780-2782. DOI: 10.1063/1.1733596 |
0.4 |
|
| 1962 |
Clementi E, Roothaan CCJ, Yoshimine M. Accurate analytical self-consistent field functions for atoms. II. Lowest configurations of the neutral first row atoms Physical Review. 127: 1618-1620. DOI: 10.1103/Physrev.127.1618 |
0.305 |
|
| 1962 |
Clementi E. Ground State SCF‐LCAO‐MO Wave Function for the Carbonyl Sulfide Molecule The Journal of Chemical Physics. 36: 750-752. DOI: 10.1063/1.1732604 |
0.308 |
|
| 1962 |
Clementi E, McLean AD. SCF‐LCAO‐MO Wave Function for the 1Σg+ Ground State of C3 The Journal of Chemical Physics. 36: 45-47. DOI: 10.1063/1.1732314 |
0.315 |
|
| 1962 |
Clementi E. SCF‐MO Wave Functions for the Hydrogen Fluoride Molecule The Journal of Chemical Physics. 36: 33-44. DOI: 10.1063/1.1732313 |
0.346 |
|
| 1960 |
Clementi E, Pitzer KS. Low Excited States in C2 The Journal of Chemical Physics. 32: 656-662. DOI: 10.1063/1.1730776 |
0.522 |
|
| 1959 |
Pitzer KS, Clementi E. Large Molecules In Carbon Vapor Journal of the American Chemical Society. 81: 4477-4485. DOI: 10.1021/Ja01526A010 |
0.508 |
|
| 1958 |
Clementi E, Kasha M. Spin-orbital interaction in N-heterocyclic molecules general results in a cylindrical potential approximation Journal of Molecular Spectroscopy. 2: 297-307. DOI: 10.1016/0022-2852(58)90082-1 |
0.677 |
|
| 1957 |
Clementi E, Kasha M. Spin-orbital perturbation in cyanine dyes adsorbed on surfaces containing high-Z atoms The Journal of Chemical Physics. 26: 956-957. DOI: 10.1063/1.1743443 |
0.681 |
|
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