Start a new search
Add filters:

Use filters to refine the search results.

Results 11-20 of 41 (Search time: 0.067 seconds).
Item hits:
State-specific solvation effect on the intramolecular charge transfer reaction in solution: A linear-response free energy TDDFT method
  Minezawa, Noriyuki (2014-07-21)
  Chemical Physics Letters, 608: 140-144
file type icon 
The origin of enantioselectivity for intramolecular Friedel–Crafts reaction catalyzed by supramolecular Cu/DNA catalyst complex
  Petrova, Galina P., Ke, Zhuofeng, Park, Soyoung, Sugiyama, Hiroshi, Morokuma, Keiji (2014-04-29)
  Chemical Physics Letters, 600: 87-95
file type icon 
From roaming atoms to hopping surfaces: mapping out global reaction routes in photochemistry
  Maeda, Satoshi, Taketsugu, Tetsuya, Ohno, Koichi, Morokuma, Keiji (2015-02-23)
  Journal of the American Chemical Society, 137(10): 3433-3445
file type icon 
Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: Experimental and computational studies
  Takeda, Youhei, Kuroda, Akinobu, Sameera, W. M C, Morokuma, Keiji, Minakata, Satoshi (2016-06-09)
  Chemical Science, 7: 6141-6152
file type icon 
Catalytic transfer hydrogenation by a trivalent phosphorus compound: phosphorus-ligand cooperation pathway or P(III) /P(V) redox pathway?
  Zeng, Guixiang, Maeda, Satoshi, Taketsugu, Tetsuya, Sakaki, Shigeyoshi (2014-04-25)
  Angewandte Chemie, 53(18): 4633-4637
file type icon 
Interest in new heterodinuclear transition-metal/main-group-metal complexes: DFT study of electronic structure and mechanism of fluoride sensing function
  Guan, Wei, Yamabe, Shinichi, Sakaki, Shigeyoshi (2013-06-28)
  Dalton transactions, 42(24): 8717-8728
file type icon 
Vibronic coupling in cyclopentadienyl radical: A method for calculation of vibronic coupling constant and vibronic coupling density analysis
  Sato, Tohru, Tokunaga, Ken, Tanaka, Kazuyoshi (2006-01-14)
file type icon 
Quantum dynamics study on predissociation of H-3 Rydberg states: Importance of indirect mechanism
  Tashiro, Motomichi, Kato, Shigeki (2002-08-01)
  JOURNAL OF CHEMICAL PHYSICS, 117(5): 2053-2062
file type icon 
Communications: A systematic method for locating transition structures of A+B-->X type reactions
  Maeda, Satoshi, Morokuma, Keiji (2010-06-28)
  The Journal of chemical physics, 132(24)
file type icon 
Binding energy of gas molecule with two pyrazine molecules as organic linker in metal–organic framework: its theoretical evaluation and understanding of determining factors
  Deshmukh, Milind M., Sakaki, Shigeyoshi (2011-10)
  Theoretical Chemistry Accounts, 130(2-3): 475-482
file type icon