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6 research outputs found
Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.
Author
ALTOE' PIERO
BOTTONI ANDREA
+7 more
G. Olaso Gonzalez
G. Tomasello
GARAVELLI MARCO
L. Serrano Andrès
M. Merchan
M. Stenta
ORLANDI GIORGIO
Publication venue
'American Chemical Society (ACS)'
Publication date
01/01/2009
Field of study
No full text
Archivio istituzionale della ricerca - Alma Mater Studiorum Università di Bologna
Nonradiative Deexcitation Dynamics of 9H-Adenine: An OM2 Surface Hopping Study
Author
Barbatti M.
Barbatti M.
+42 more
Blancafort L.
Broo A.
Callis P. R.
Canuel C.
Chen H.
Clark L. B.
Crespo-Hernandez C. E.
Crespo-Hernandez C. E.
E. Fabiano
Fabiano E.
Fucaloro A.
Fülscher M. P.
Hammes-Schiffer S.
Kang H.
Kang H.
Keal T. W.
Kim N. J.
Koslowski A.
Lengsfield III B. H.
Manaa M. R.
Marian C. M.
Mennucci B.
Nielsen S. B.
Nix M. G. D.
Perun S.
Perun S.
Ritze H.-H.
Saigusa H.
Samoylova E.
Satger H.
Serrano-Andrès L.
Serrano-Andrès L.
Shukla M. K.
Shukla M. K.
Sobolewski A. L.
Tully J. C.
Ullrich S.
Ullrich S.
Voelter W.
W. Thiel
Weber W.
Zgierski M. Z.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Assessment of time-dependent density functional theory for predicting excitation energies of bichromophoric peptides: case of tryptophan-phenylalanine
Author
A Britten
A Crespo
+43 more
A Dreuw
A Dreuw
A Lange
A Schäfer
AL Sobolewski
AW Lange
C Adamo
C Dedonder-Lardeux
C Hättig
CD Borsarelli
DJ Tozer
DJ Tozer
DM Rogers
G Yang
GD Luca
GJ Martyna
I Tavernelli
J Catalán
J Fabian
J Hutter
J Neugebauer
J Tao
JR Platt
K Andersson
K Burke
L Bernasconi
L Bernasconi
L Serrano-Andrès
M Parac
M Parac
M Petersilka
MAL Marques
N Troullier
O Christiansen
PR Callis
PR Callis
PRT Schipper
RJ Magyar
Rodolphe Pollet
S Hirata
Valérie Brenner
WL Jorgensen
Y Chen
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
The V state of ethylene: valence bond theory takes up the challenge
Author
A Zaitsevskii
AG Anderson
+60 more
AJ Duben
AJ Merer
B Braida
B Braida
Benoît Braïda
BR Brooks
C Angeli
CF Bender
D Domin
DL Cooper
ER Davidson
ER Davidson
F Schautz
FR Petruzielo
G Wilkinson
GA Gallup
HB Chirgwin
HF Schaefer III
Huaiyu Zhang
I Garcıa-Cuesta
J Finley
J Gerratt
J Toulouse
JD Watts
JH Lenthe van
L Serrano-Andrès
L Song
L Song
L Song
L Song
LE McMurchie
O Sinanoglu
P Su
PC Hiberty
PC Hiberty
PC Hiberty
PC Hiberty
PC Hiberty
PC Hiberty
Philippe C. Hiberty
PO Löwdin
R Lindh
RA Kendall
RJ Buenker
RJ Buenker
RJ Buenker
S Krebs
S Shaik
S Shaik
S Shaik
Sason Shaik
T Müller
T Thorsteinsson
TH Dunning Jr
TH Dunning Jr
W Wu
W Wu
WA Goddard
Wei Wu
Z Chen
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
No full text
Crossref
Spectroscopic Properties of Formaldehyde in Aqueous Solution: Insights from Car−Parrinello and TDDFT/CASPT2 Calculations
Author
Altoé P.
Alves C. N.
+84 more
Andersson K.
Bader J. S.
Bayliss N. S.
Becke A.
Bercovici T.
Bernal R.
Blair J. T.
Bucher D.
Bucher D.
Carloni P.
Casida M. E.
Conte A. M.
Cossi M.
Coutinho K.
Császár P.
Dal Peraro M.
Dimitrova Y.
Emiliano Ippoliti
Ernzerhof M.
Essmann U.
Frank I.
Garavelli M.
George W.
Guilbault G. G.
Hohenberg P.
Hoover W.
Hutter J.
Improta R.
Jalbouta A. F.
Job V. A.
Jorgensen W.
Karlstrom G.
Kawashima Y.
Kleinman L.
Kohn W.
Kongsted J.
Lee C.
Liao D.-W.
M. Mwalaba
Malaspina T.
Marco Garavelli
Martyna G.
Martín M. E.
Martín M. E.
Marzari N.
Mennucci B.
Mochizuki Y.
Moule D. C.
Murugan N. A.
Muñoz Losa A.
Naka K.
Nielsen C. B.
Ohrn A.
Paola Lupieri
Paolo Carloni
Perdew J. P.
Phillips J.
Piana S.
Piero Altoè
Quigley D.
Runge E.
Ryckaert J.
Röhrig U. F.
Röthlisberger U.
Schoolery J. N.
Serrano-Andrès L.
Silvestrelli P. L.
Spezia R.
Sulpizi M.
Sánchez M. L.
Takagi K.
Taylor S.
Ten-no S.
Thompson M. A.
Tilocca A.
Troullier N.
van Gunsteren W. F.
von Lilienfeld O.
Walzl K. N.
Wang J.
Widmark P.-O.
Wilson E.
Xu Z.
Öhrn A.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules
Author
Adachi M.
Adamo C.
+120 more
Adamo C.
Adamo C.
Adamo C.
Bacon A. D.
Baker J.
Barone V.
Becke A. D.
Becke A. D.
Becke A. D.
Blancafort L.
Blancafort L.
Boese A. D.
Boese A. D.
Bondar A.-N.
Briquet L.
Briquet L.
Caricato M.
Caricato M.
Carlo Adamo
Ciofini I.
Cossi M.
Curutchet C.
Dagnelie P.
Denis Jacquemin
Dierksen M.
Dreuw A.
Eric A. Perpète
Ernzerhof M.
Fabian J.
Fabian J.
Frisch M. J.
Frisch M. J.
Goerigk L.
Grimme S.
Guillaumont D.
Handy N. C.
Heyd J.
Heyd J.
Iikura H.
Improta R.
Improta R.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Jacquemin D.
Lee C.
Leininger T.
Livshits E.
Loos P.-F.
Marian C. M.
Matsuura M.
Mennucci B.
Parac M.
Peach M. J. G.
Peach M. J. G.
Peach M. J. G.
Perdew J. P.
Perdew J. P.
Perdew J. P.
Perpète E. A.
Perpète E. A.
Petit L.
Pezzella A.
Preat J.
Preat J.
Preat J.
Preat J.
Riccardi D.
Rohrdanz M. A.
Rohrdanz M. A.
Runge E.
Sancho García.
Santoro F.
Sauer S. P. A.
Scalmani G.
Schmider H. L.
Schreiber M.
Schreiber M.
Serrano-Andrès L.
Shemesh D.
Silva-Junior M. R.
Slater J. C.
Sobolewski A. L.
Staroverov V. N.
Stein T.
Stephens P. J.
Stewart J. J. P.
Stratmann R. E.
Tao J.
Tawada T.
Tomasi J.
Toulouse J.
Tsuji T.
Valérie Wathelet
van Faasen M.
Van Voorhis T.
Vosko S. J.
Vydrov O. A.
Vydrov O. A.
Wanko M.
Wong B. M.
Xu X.
Yanai T.
Zhao Y.
Zhao Y.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref