48 research outputs found
Improved direct diabatization and coupled potential energy surfaces for the photodissociation of ammonia
- Author
- A Bach
- A Bach
- AE Douglas
- C LĂ©onard
- DH Mordaunt
- Donald G. Truhlar
- DR Yarkony
- F Gatti
- GJ Atchity
- H Nakamura
- H Nakamura
- H Nakamura
- H Nakamura
- H Nakano
- H Nakano
- H Nakano
- HA Witek
- I Morino
- J Demaison
- JML Martin
- K Ruedenberg
- LO Hargiss
- MJ Frisch
- MW Schmidt
- NC Handy
- R Krishnan
- RA Dixon
- Roos
- Rosendo Valero
- S Nangia
- SA Henck
- SL Coy
- V Barone
- W Gabriel
- Zhen Hua Li
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Excited Electronic States of the Cyclic Isomers of O 3
- Author
- Artamonov M.
- Atchity G.
- Banichevich A.
- Banichevich A.
- Bendazzoli G. L.
- Borowski P.
- Bunge A.
- Burton P.
- Chen L.
- Dallos M.
- Dunning T. H.
- Dunning T. H.
- Flemmig B.
- Harding L.
- Hay P.
- Hayes E. F.
- Herzberg G.
- Herzberg G.
- Ivanic J.
- Jones R. O.
- Kamiya K.
- Kellogg C. B.
- Langhoff S. R.
- Lee T.
- Levis R. J.
- Levis R. J.
- Levy A.
- Lischka H.
- Lischka H.
- Lischka H.
- Lo W.-J.
- Lo W.-J.
- Ma G. B.
- McGarvey J. J.
- McLean A.
- Meyer L.
- Morino Y.
- Muller T.
- Myerson A. L.
- Norrish R. G. W.
- Norrish R. G. W.
- Norwood K.
- Palmer M.
- Palmer M.
- Peyerimhoff S. D.
- Plass R.
- Rassias G.
- Rodrigues S. P. J.
- Râ NBS
- Schaftermaar G.
- Shih S.
- Siebert R.
- Siebert R.
- Siebert R.
- Tanaka T.
- Tyuterev V. G.
- Woon D. E.
- Xantheas S.
- Xie D.
- Xie D. Q.
- Xu D. G.
- Yamashita K.
- Zheng Y. J.
- Zuniga J.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Four: A Reflection on the Wholeness of Nature, Part I
- Author
- Publication venue
- 'Informa UK Limited'
- Publication date
- Field of study
Potential Energy Surface Crossings and the Mechanistic Spectrum for Intramolecular Electron Transfer in Organic Radical Cations
- Author
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Computational Organic Photochemistry: Strategy, Achievements and Perspectives
- Author
- A Cembran
- A Cembran
- A Gilbert
- A Natansohn
- A Toniolo
- A Toniolo
- AW Jasper
- AW Jasper
- B Balzer
- B Balzer
- B Balzer
- B Honig
- B Honig
- B Hou
- BO Roos
- C Dugave
- C Gonzalez
- C Ko
- CI Bayly
- D Bryce-Smith
- DG Truhlar
- DG Truhlar
- DR Yarkony
- DR Yarkony
- DS Ruiz
- E Roman
- E Teller
- F Bernardi
- F Bernardi
- G Haran
- G Maier
- G Wald
- GA Worth
- GA Worth
- GJ Atchity
- GJ Atchity
- GJ Atchity
- GJ Atchity
- GJ Atchity
- H Hopf
- H Kandori
- H Kandori
- H Kandori
- H Kandori
- H Nakamura
- H Nakamura
- H Nakano
- HE Zimmerman
- HE Zimmermann
- HE Zimmermann
- HJA Dartnall
- IJ Palmer
- J Finley
- J Michl
- J Michl
- JB Foresman
- JJW McDouall
- JL Gao
- JZ Pu
- K Andersson
- K Andersson
- K Nakanishi
- K Ruedenberg
- KE Drexler
- KK Baeck
- L De Vico
- M Ben-Nun
- M Ben-Nun
- M Ben-Nun
- M Ben-Nun
- M Ben-Nun
- M Desouter-Lecomte
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Garavelli
- M Irie
- M Klessinger
- M Sheves
- M Sheves
- MA Robb
- Marco Garavelli
- MD Hack
- MG Motto
- MJ Bearpark
- MJ Frisch
- N Hampp
- N Tamai
- NJ Turro
- P Celani
- P Celani
- P Hamm
- PEM Siegbahn
- R Gonzalez-Luque
- RA Mathies
- RM Weiss
- RR Birge
- RS Becker
- RW Schoenlein
- S Ruhman
- SL Logunov
- SL Logunov
- T Andruniow
- T Kobayashi
- T Schultz
- V Bonacic-Koutecky
- W Fuss
- W Fuss
- W Fuss
- W Gerhartz
- WTAM Lugt Van der
- Y Koyama
- Y Yokoyama
- YR Mo
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Density Functional Study of Systems with Nondynamical Electron Correlation: The S 3
- Author
- Almbladh C. O.
- Appel A.
- Atchity G. J.
- Atchity G. J.
- Balasubramanian K.
- Banichevich A.
- Barbe A.
- Basch H.
- Becke A. D.
- Becke A. D.
- Binning R. C.
- Bofill J. M.
- Brabson G. D.
- Brabson G. D.
- Carlsen N. R.
- DiLabio
- Dunlap B. I.
- Fan L.
- Frisch M. J.
- Fueno T.
- Goddard W. A.
- Goursot A.
- Harding L. B.
- Hassanzadeh P.
- Hay P. J.
- Heinemann C.
- Ivanic J.
- Jones R. O.
- Jones R. O.
- Koch W.
- Laidlaw W. G.
- LaJohn L. A.
- Lee C.
- Lee T.
- Lee T. J.
- Lenain P.
- Luchesse R. R.
- Minyaev R. M.
- Morin M.
- Murray C. W.
- Orlova G.
- Perdew J. P.
- Pietro W. J.
- Pulay P.
- Pulay P.
- Raghavachari K.
- Raghavachari K.
- Rice J. E.
- Ruiz E.
- Schipper P. R. T.
- Scuseria G. E.
- Shalabi A. S.
- Slater J. C.
- Stanton J. F.
- Stevens W. J.
- Tozer D.
- Van Leeuwen R.
- Wang S. G.
- Xantheas S.
- Xantheas S.
- Yarkony D. R.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
The Reactions Al( 2
- Author
- Alexander M.
- Alexander M.
- Allison T. C.
- Atchity G. J.
- Berry M. V.
- Gordon M. S.
- Huber K. P.
- Jensen J. O.
- Kuppermann A.
- Longuet-Higgins H. C.
- Matsunaga N.
- Mead C. A.
- Mead C. A.
- Mead C. A.
- Mead C. A.
- Mead C. A.
- Shavitt
- Silverstone H. J.
- Waschewsky G. C. G.
- Xantheas S.
- Xantheas S. S.
- Yang X.
- Yarkony D.
- Yarkony D. R.
- Yarkony D. R.
- Yarkony D. R.
- Yarkony D. R.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Location of Two Seams in the Proximity of the C
- Author
- Andersson K.
- Andersson K.
- Anglada J. M.
- Atchity G. J.
- Banerjee A.
- Braslavsky S. E.
- Broyden C. G.
- Cembran A.
- Dantus M.
- De Vico L.
- Domke W.
- Fletcher R.
- Frutos L. M.
- Garavelli M.
- Goldfarb D.
- Hunt P. A.
- Karlström G.
- Klessinger M.
- Levine B. G.
- Migani A.
- Migani A.
- Olivucci M.
- Roos B.
- Roos B. O.
- Roos B. O.
- Salem L.
- Shanno D. F.
- Sicilia F.
- Sicilia F.
- Sicilia F.
- Teller E.
- Veryazov V.
- Wohar M. M.
- Yarkony D. R.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
On the Bonding Nature of Ozone (O 3
- Author
- Andersen S. O.
- Arnold W.
- Atchity G. J.
- Atchity G. J.
- Bailey P. S.
- Banichevich A.
- Banichevich A.
- Banichevich A.
- Becker S.
- BermĂșdez-Aguirre D.
- Bouvier A. J.
- Chase M. W.
- Chen L.-S.
- Du S.
- Dunning T. H.
- Dunning T. H.
- Elliott R.
- Evangelos Miliordos
- Francisco J. S.
- Gadzhiev O. B.
- Glezakou V. A.
- Grebenshchikov S. Y.
- Griffith W. P.
- GrĂŒnther J.
- Han H.
- Han H.
- Hay P. J.
- Hayes E. F.
- Hino O.
- Huber K.
- Ivanic J.
- Ivanic J.
- Jones A. V.
- Kalemos A.
- Kendall R. A.
- Knowles P.
- Laidig W. D.
- Lee H.
- Li A.
- Lindenmayer J.
- Lindquist B. A.
- Lo W.-J.
- Lo W.-J.
- Logan J. A.
- LĂ©vĂȘque C.
- McCarthy M. C.
- Miliordos E.
- Miller F. A.
- Morino Y.
- Muller T.
- Nachtigall P.
- Oyedepo G. A.
- Penru Y.
- Peterson K. A.
- Pilar F. L.
- Rubin M. B.
- Saito S.
- Schinke R.
- Schmidt M. W.
- Sotiris S. Xantheas
- Thorwirth S.
- Tsukiyama K.
- Tyuterev V. G.
- Ulenikov O. N.
- Van Ornum S. G.
- Werner H.-J.
- Xantheas S. S.
- Xantheas S. S.
- Zhang Y. F.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study
Crossing Electronic States in the FranckâCondon Zone of Carbon Dioxide: A Five-Fold Closed Seam of Conical and Glancing Intersections
- Author
- Abe M.
- Ashfold M. N. R.
- Atchity G. J.
- Baer M.
- Berry M. V.
- Carter S.
- Chen Z.
- Dixon R. N.
- Grebenshchikov S. Yu
- Han S.
- Herzberg G.
- Hwang D.-Y.
- Johansson N.
- Knowles P. J.
- Köppel H.
- Levi C.
- Levi C.
- Lim J. S.
- Longuet-Higgins H. C.
- Manolopoulos D.
- Mead C. A.
- Mebel A. M.
- Paterson M. J.
- Petrongolo C.
- Raffaele Borrelli
- Sergy Yu. Grebenshchikov
- Spielfiedel A.
- Teller E.
- Yarkony D. R.
- Yoshino K.
- Zhu Y.-F.
- Publication venue
- 'American Chemical Society (ACS)'
- Publication date
- Field of study