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publications

(36)

• Electronic reorganization: Origin of sigma trans promotion effect.
  Dmitry V. Khoroshun and Djamaladdin G. Musaev and Keiji Morokuma Journal of Computational Chemistry 28 423-441 (2007)
  to dblp by dblp on 2007-11-27 00:00:00
  | URL | BibTeX  
• A Dynamic Retargettable Multi-Protocol RFID Reader/Writer.
  Shinsuke Kobayashi and Ken Sakamura and Tatsushi Morokuma AINA Workshops (2) 340-346 (2007)
  to dblp by dblp on 2007-06-06 00:00:00
  | URL | BibTeX  
• A DFT study of the mechanism of Ni superoxide dismutase (NiSOD): Role of the active site cysteine-6 residue in the oxidative half-reaction.
  Rajeev Prabhakar and Keiji Morokuma and Djamaladdin G. Musaev Journal of Computational Chemistry 27 1438-1445 (2006)
  to dblp by dblp on 2007-01-29 00:00:00
  | URL | BibTeX  
• Ab initio molecular orbital study of the mechanism of photodissociation of trans-azomethane
  R. F. Liu and Q. Cui and K. M. Dunn and K. Morokuma J. Chem. Phys. 105 2333--2345 (1996)
  to azo-compounds basis bibtex-import coefficients decomposition dissociation dynamics electronic-spectra optimization photochemistry photoelectron-spectroscopy sets simultaneous- by hlwoodcock on 2006-06-16 05:03:46
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• Potential-energy surfaces and their dynamic implications
  K. Morokuma and Q. Cui and Z. W. Liu Faraday Discussions 71--89 (1998)
  to bibtex-import chemistry constants mechanism molecular-dynamics n-h nonadiabatic photodissociation rate reaction-path reactions theoretical theory transition-state treatment unimolecular by hlwoodcock on 2006-06-16 05:03:46
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• Analytical second derivatives for effective core potential. application to transition structures of cp(2)ru(2)(mu-h)(4) and to the mechanism of reaction cu+ch(2)n(2)
  Q. Cui and D. G. Musaev and M. Svensson and K. Morokuma J. Phys. Chem. 100 10936--10944 (1996)
  to abinitio approximation atoms basis-sets bibtex-import calculations copper cuch2 density-functional exchange gradient integrals methylene mo molecular thermochemistry by hlwoodcock on 2006-06-16 05:03:46
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• An ab initio study of the dissociation of hnco in the s-1 electronic state
  J. E. Stevens and Q. Cui and K. Morokuma J. Chem. Phys. 108 1452--1458 (1998)
  to acid bibtex-import energy heat isocyanic n-h photodissociation singlet surfaces by hlwoodcock on 2006-06-16 05:03:46
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• Ab initio study on the mechanism of c2h2+nh3 reaction: efficient charge transfer and proton transfer processes competing with stable complex formation
  Q. Cui and K. Morokuma J. Chem. Phys. 108 4021--4030 (1998)
  to bibtex-import density-functional exchange potential-energy states surfaces system thermochemistry by hlwoodcock on 2006-06-16 05:03:46
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• The spin-forbidden reaction ch((2)pi)+n-2 -> hcn+n(s-4) revisited i. ab initio study of the potential energy surfaces
  Q. Cui and K. Morokuma Theor. Chem. Acc. 102 127--133 (1999)
  to approximation bibtex-import energy exchange frequencies mechanism model nonadiabatic path potential processes surfaces by hlwoodcock on 2006-06-16 05:03:46
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• An ab initio investigation of spin-allowed and spin-forbidden pathways of the gas phase reactions of o(p-3)+c2h5i
  J. E. Stevens and Q. Cui and K. Morokuma J. Chem. Phys. 108 1544--1551 (1998)
  to bibtex-import density-functional dynamics exchange hoi molecules potentials spectroscopy thermochemistry by hlwoodcock on 2006-06-16 05:03:46
  | BibTeX