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7 research outputs found
Exploring the structural, electronic and optical properties of furan-2-carboxaldehyde and 2-acetylthiophene nicotinoylhydrazone
Author
AD Becke
Agata Trzesowska-Kruszynska
+28 more
B Bottari
C Lee
DS Kalinowski
E Runge
F Chimenti
FH Allen
G Visbal
GM Sheldrick
GR Desiraju
H Beraldo
H Qian
JA Montgomery Jr
JW Ochterski
K Szabó
KM Anderson
M Cossi
ME Casida
PG Avaji
R Bauernschmitt
R Kruszynski
S Miertu
S Sivaramaiah
SA Carvalho
SF Boys
STOE Cie
T Horiuchi
U Varetto
VP Singh
Publication venue
'Springer Science and Business Media LLC'
Publication date
Field of study
Full text link
Crossref
Modellazione molecolare e progettazione di nuovi inibitori della serin proteasi NS3 del virus dell\u2019HCV
Author
De Nardi P.G.
Fermeglia M.
+5 more
Ferrone M.
Frecer V.
Kabelac M.
Miertu\u161 S.
Pricl S.
Publication venue
country:ITA
Publication date
01/01/2002
Field of study
No full text
Archivio istituzionale della ricerca - Università di Trieste
2-Chloro-2,2-difluoracetamide (ClF2CC(O)NH2). Thermal Decomposition, Vapour Infrared, Mass Spectrometry, Low-temperature NMR, and Theoretical Studies. Solvent Effects on Conformational Preferences
Author
Ana G. Iriarte
Aspden
+25 more
Binev
Eaton
Eaton
Edgardo H. Cutin
Gundersen
Gundersen
Gundersen
Gundersen
Gustavo A. Argüello
Iriarte
Kalyanaraman
Kwac
Maccoll
Marstokk
Martins
Miertu?
M�llendal
Nakajima
Nakajima
Olivato
Olivato
Pedersoli
Samdal
S�nchez de la Blanca
Tormena
Publication venue
'CSIRO Publishing'
Publication date
01/01/2011
Field of study
No full text
Crossref
Common theoretical framework for quantum chemical solvent effect theories
Author
A. Raudino
A. Raudino
+106 more
A. Sawaryn
A.D. Buckingham
A.J. Sadlej
A.J. Stone
A.J. Stone
A.J. Stone
B. Blaive
B.T. Thole
C. Pisani
C.E. Felder
C.G. Gray
C.J. Cramer
C.J.F. B�ttcher
D. Rinaldi
D. Rinaldi
D.L. Beveridge
D.L. Beveridge
E. Durand
E.F. Bertaut
F. Achenbach
F. Vign�-Maeder
F. Zuccarello
G. Klopman
G. Klopman
G.G. Hall
G.W. Schnuelle
G.W. Schnuelle
H. Block
H. Weinstein
H.A. Germer Jr.
H.A. Germer Jr.
H.C. Longuet-Higgins
H.J. Kim
H.J. Kim
I. Jano
J. Alml�f
J. Langlet
J. Zyss
J.A.C. Rullmann
J.E. Sanhueza
J.G. Kirkwood
J.G. �ngy�n
J.G. �ngy�n
J.G. �ngy�n
J.G. �ngy�n
J.G. �ngy�n
J.G. �ngy�n
J.L. Rivail
J.L. Rivail
J.L. Rivail
J.L. Rivail
J.O. Noell
J.O. Noell
J.T. Hynes
K.L.C. Hunt
K.V. Mikkelsen
L. Onsager
L.M. Ses�
L.M. Ses�
L.M. Ses�
L.M. Ses�
M. Catti
M. Gutowski
M. Tsukada
M.C. B�hm
M.D. Newton
M.J. Huron
O. Sinanoglu
O. Tapia
O. Tapia
O. Tapia
O. Tapia
O. Tapia
O. Tapia
O. Tapia
P. Otto
P. Otto
P. Otto
P. Otto
P. Popelier
P.G. Cummins
P.R. Surj�n
R. Bonaccorsi
R. Bonaccorsi
R. Carbo
R. Constanciel
R. Constanciel
R. Constanciel
R. Constanciel
R. Constanciel
R. Constanciel
R. Contreras
R. Kubo
S. Miertu?
S. Miertu?
S. Miertu?
S. Miertu?
S. Miertu?
S. Yomosa
V. Magnasco
W. F�mer
W.A. Sokalski
W.A. Sokalski
W.A. Sokalski
Y. Hannachi
Z. Barandiar�n
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1992
Field of study
No full text
Crossref
Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 2. A Quantum Mechanical/Molecular Mechanical Study of (Proline-Proline-Glycine) n
Author
Adamo C.
Amovilli C.
+49 more
Babu I. R.
Bansal M.
Barone V.
Barone V.
Barone V.
Bella J.
Bella J.
Benzi C.
Berisio R.
Berisio R.
Berisio R.
Bhatnagar R. S.
Biochemistry
Bretscher L. E.
Bretscher L. E.
Collagen
Cornell W. D.
Dunbrack R. L.
Eberhardt E. S.
Engel J.
Floris F. M.
Frank S.
Fraser R. D. B.
Frisch M. J.
Gould I. R.
Hariharan P. C.
Holmgrem S. K.
Holmgrem S. K.
Improta R.
Improta R.
Improta R.
Improta R.
Kersteen E. A.
Kramer R. Z.
Kramer R. Z.
MacArthur M. W.
Miertu S.
Mooney S. D.
Nagarajan V.
Némethy G.
Perdew J. P.
Persikov A. V.
Persikov A. V.
Pierotti R. A.
Ramachandran G. N.
Rich A.
Tumanyan V. G.
Vitagliano L.
Vitagliano L.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Conformational and Substitution Effects on the Electron Distribution in a Series of Anthocyanidins
Author
Bader R. F. W.
Bader R. F. W.
+41 more
Bader R. F. W.
Bader R. F. W.
Bader R. F. W.
Becke A. D.
Borkowski T.
Cossi M.
Estévez L.
Estévez L.
Estévez L.
Francis F.
Frisch M. J.
Gillespie R. J.
González-Moa M. J.
González-Moa M. J.
González-Moa M. J.
Graña A. M.
Heredia F. J.
Kalt W.
Klein R. A.
Klein R. A.
Lee C.
Leopoldini M.
Liptak M. D.
Mac Quarrie D.
Mandado M.
Mandado M.
Matta C.
Mazza G.
Miertu S.
Mishira D. K.
Nielsen S. R.
Otero N.
Popelier P. L. A.
Rastelli G.
Sakakibara H.
Sakata K.
Slee T. S.
Tomasi J.
Vila A.
Vila A.
Woodford J. N.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
Mechanistic Study of the Deamidation Reaction of Glutamine: A Computational Approach
Author
Albrecht J.
Albrecht J.
+102 more
Albrecht J.
Albrecht J.
Albrecht J.
Albrecht J.
Aledo J.
Almatarneh M.
Almatarneh M. H.
Alrawashdeh A.
Antonio J.
Bak L. K.
Bak L. K.
Baynes J.
Bode B. P.
Braissant O.
Brosnan J. T.
Capasso S.
Capasso S.
Capasso S.
Carvalho-Peixoto J.
Castell L.
Catak S.
Catak S.
Catak S.
Chen Z. Q.
Cohn R. M.
Cossi M.
Cramer C. J.
Curi R.
Curi R.
Daikhin Y.
Dams K.
Flinn C.
Frederico L.
Frisch M. J.
Geiger T.
Gleeson M.
Graham T. E.
Groenen P.
Hains P. G.
Halim M. A.
Hamilton P. B.
Hawkins R. A.
Heaton A. L.
Hipkiss A.
Jessy J.
Kaliman I.
Kerbs H. A.
Konuklar F.
Konuklar F.
Lee W. J.
Lemberg A.
Liu H.
Mansour H. Almatarneh
Marenich A. V.
Miertu S.
Mohammad A. Halim
Newsholme P.
Norenberg M. D.
Norenberg M. D.
Norenberg M. D.
Norenberg M. D.
Onsager L.
Patel K.
Peters B.
Pucher G. W.
Rao K. V. R.
Raymond A. Poirier
Rivail J. L.
Rivail L.
Rivers J.
Robinson A.
Robinson A.
Robinson A.
Robinson A.
Robinson N.
Robinson N.
Robinson N.
Robinson N.
Robinson N. E.
Robinson N. E.
Rohde T.
Sanyal A. J.
Scotchle J. W.
Seo J.
Sponer J.
Takemoto L.
Talley E. A.
Tomasi J.
Uddin K. M.
Uddin K. M.
Waagepetersen H. S.
Waagepetersen H. S.
Wang H.
Warren K. S.
Weil-Malherbe H.
Weintraub S.
Wilmarth P. A.
Wright H.
Young V.
Yuneva M.
Zhang A.
Zheng H.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref