Journals in DBLP

Journal of Computational Chemistry
2000, volume: 21, number: 16

1. Thom Vreven, Keiji Morokuma
   On the application of the IMOMO (integrated molecular orbital + molecular orbital) method. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1419-1432 [Journal]
   
2. Richard J. Hall, Sally A. Hindle, Neil A. Burton, Ian H. Hillier
   Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1433-1441 [Journal]
   
3. Robert B. Murphy, Dean M. Philipp, Richard A. Friesner
   A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1442-1457 [Journal]
   
4. Yirong Mo, Jiali Gao
   Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1458-1469 [Journal]
   
5. Joachim Sauer, Marek Sierka
   Combining quantum mechanics and interatomic potential functions in ab initio studies of extended systems. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1470-1493 [Journal]
   
6. Arjan van der Vaart, Valentin Gogonea, Steven L. Dixon, Kenneth M. Merz Jr.
   Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1494-1504 [Journal]
   
7. Peter M. W. Gill, Andrew T. B. Gilbert, Terry R. Adams
   Rapid evaluation of two-center two-electron integrals. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1505-1510 [Journal]
   
8. Stan J. A. van Gisbergen, Célia Fonseca Guerra, Evert Jan Baerends
   Towards excitation energies and (hyper)polarizability calculations of large molecules. Application of parallelization and linear scaling techniques to time-dependent density functional response theory. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1511-1523 [Journal]
   
9. Philippe Y. Ayala, Gustavo E. Scuseria
   Electron correlation in large molecular systems using the atomic orbital formalism. The case of intermolecular interactions in crystalline urea as an example. [Citation Graph (0, 0)][DBLP]
   Journal of Computational Chemistry, 2000, v:21, n:16, pp:1524-1531 [Journal]
   
10. Jing Kong, Christopher A. White, Anna I. Krylov, David Sherrill, Ross D. Adamson, Thomas R. Furlani, Michael S. Lee, Aaron M. Lee, Steven R. Gwaltney, Terry R. Adams, Christian Ochsenfeld, Andrew T. B. Gilbert, Gary S. Kedziora, Vitaly A. Rassolov, David R. Maurice, Nikhil Nair, Yihan Shao, Nicholas A. Besley, Paul E. Maslen, Jeremy P. Dombroski, Holger Daschel, Weimin Zhang, Prakashan P. Korambath, Jon Baker, Edward F. C. Byrd, Troy A. Van Voorhis, Manabu Oumi, So Hirata, Chao-Ping Hsu, Naoto Ishikawa, Jan Florián, Arieh Warshel, Benny G. Johnson, Peter M. W. Gill, Martin Head-Gordon, John A. Pople
    Q-Chem 2.0: a high-performance ab initio electronic structure program package. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:16, pp:1532-1548 [Journal]
    
11. Karl Jug, Daniel Wichmann
    MSINDO study of large silsesquioxanes. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:16, pp:1549-1553 [Journal]
    
12. Gongyi Hong, Marek Strajbl, Tomasz A. Wesolowski, Arieh Warshel
    Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:16, pp:1554-1561 [Journal]
    
13. Jana Khandogin, Anguang Hu, Darrin M. York
    Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:16, pp:1562-1571 [Journal]
    
14. Bernard Kirtman, Benoît Champagne, Josep M. Luis
    Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2000, v:21, n:16, pp:1572-1588 [Journal]