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8 research outputs found
Electronic structure of non-alternant hydrocarbons, their analogues and derivatives. III. Ions of the polyenylcyclopentadienyl type
Author
J. Michl
J. Pancíř
R. Zahradník
Publication venue
'Institute of Organic Chemistry & Biochemistry'
Publication date
01/01/1965
Field of study
No full text
Crossref
Topological study of the chemisorption behavior of carbon monoxide on the Ni(112) and Cu(112) surfaces
Author
I. Haslingerová
J. Pancíř
P. Nachtigall
Publication venue
'Elsevier BV'
Publication date
Field of study
No full text
Crossref
Second-Order Methods for the Optimization of Molecular Potential Energy Surfaces
Author
A Banerjee
A Banerjee
+45 more
C Gonzalez
CJ Cerjan
CM Smith
DK Hoffman
DR Yarkony
DT Nguyen
E Bright Wilson Jr.
G Fogarasi
HB Schlegel
HB Schlegel
HB Schlegel
HJA Jensen
HJA Jensen
J Baker
J Baker
J Baker
J Baker
J Ischtwan
J Nichols
J Pancíř
J Pancíř
J Simons
J-Q Sun
J-Q Sun
J-Q Sun
J-Q Sun
J-Q Sun
JD Head
JD Head
JE Dennis
JML Martin
K Ruedenberg
M Page
MV Basilevsky
P Culot
P Jørgensen
P Pechukas
P Pulay
PE Gill
R Fletcher
RN Camp
SP Walch
T Helgaker
W Quapp
Z Havlas
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1995
Field of study
No full text
Crossref
Gradient Extremals and Their Relation to the Minimum Energy Path
Author
A Niño
A Tachibana
+26 more
BL Garret
CJ Cerian
CJ Tsai
D Heidrich
DA Liotard
DG Truhlar
DJ Rowe
DK Hoffman
H Primas
HB Schlegel
J Nichofs
J-Q Sun
JC Maxwell
JW McIver
K Fukui
K Fukui
K Müller
LF Colegrove
MV Basilevsky
MV Basilevsky
RA Marcus
S Pancíř
VS Melissas
W Quapp
W Quapp
W Quapp
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1995
Field of study
No full text
Crossref
Calculation Methods in the Theory of the Chemical Bond
Author
A Brickstock
A Ishitani
+77 more
AA Vek
AD McLachlan
C Sandorfy
C Sandorfy
C Sandorfy
CA Coulson
CA Coulson
CA Coulson
CCJ Roothaan
CCJ Roothaan
CJ Ballhausen
D Sutton
DB Cook
DP Craig
G Klopman
G Klopman
G Klopman
G Klopman
G Klopman
GW Wheland
H Bethe
H Fisher
H Hosoya
H Kon
H Kuhn
HA Pohl
HC Longuet-Higgins
HC Longuet-Higgins
HS Jarrett
I Fischer-Hjalmars
J Bene Del
J Linderberg
J Pancíř
J Pancíř
JA Pople
JA Pople
JA Pople
JA Pople
JJ Kaufman
JM Sichel
JM Sichel
JR Platt
K Ohno
K Ruedenberg
K. Fukui
KH Johnson
LE Orgel
LF Phillips
M Goeppert-Mayer
M Jungen
M Wolfsberg
MJ Janssen
MJS Dewar
MJS Dewar
N Mataga
NC Baird
NS Bayliss
PA Straub
R McWeeny
R McWeeny
R Pariser
R Zahradník
R Zahradník
R Zahradník
R Zahradník
R. L. Flurry
R. Pariser
RD Brown
RG Parr
RG Parr
RK Nesbet
RL Flurry Jr.
RN Dixon
S Katagiri
T Nakajima
TM Dunn
W Manch
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1980
Field of study
No full text
Crossref
Defect migration in crystalline silicon
Author
A. Banerjee
A. C. Mackay
+51 more
A. E. Michel
A. F. Voter
A. P. Sutton
C. J. Cerjan
C. Z. Wang
D. J. Chadi
D. J. Chadi
D. J. Wales
D. J. Wales
D. J. Wales
D. J. Wales
D. Maroudas
D. O’Neal
D. Tománek
E. G. Song
F. H. Stillinger
F. S. Acton
G. D. Watkins
G. D. Watkins
H. R. Schober
I. P. Batra
J. Baker
J. Baker
J. Baker
J. F. Justo
J. N. Murrell
J. Pancíř
J. Q. Broughton
J. Simons
J. Zhu
K. C. Pandey
M. J. Puska
M. Menon
M. Nastar
M. P. Allen
M. Page
M. Tang
M. W. Finnis
N. Bernstein
P. E. Blöchl
P. M. Fahey
P. M. Morse
R. Car
R. E. Leone
R. Virkkunen
S. J. Clark
S. J. Clark
T. J. Lenosky
T. R. Walsh
W. H. Press
Y. Bar-Yam
Publication venue
'American Physical Society (APS)'
Publication date
Field of study
No full text
Crossref
Finding Reaction Pathways of Type A + B → X: Toward Systematic Prediction of Reaction Mechanisms
Author
Banerjee A.
Basilevsky M. V.
+105 more
Basilevsky M. V.
Bofill J. M.
Bondensgård K.
Brown A.
Broyden C. G.
Burger S. K.
Carr J. M.
Cerjan C. J.
Collins M. A.
Crehuet R.
Crippen G. M.
Császár P.
Culot P.
Dallos M.
Dewar M. J. S.
Dill K. A.
Dobson C. M.
E W.
Elber R.
Ensing B.
Farkas Ö.
Fletcher R.
Floudas C. A.
Fukui K.
Fukui K.
Fukui K.
Fukui K.
Fukui K.
Glasstone S.
Goldfarb D.
Gonzalez C.
Grubmüller H.
Halgren T. A.
Hayes D. M.
Henkelman G.
Henkelman G.
Hirsch M.
Hirsch M.
Hoffman D. K.
Houk K. N.
Hratchian H. P.
Hu H.
Huber T.
Irikura K. K.
Ishida K.
Jaffe R. L.
Jensen F.
Jørgensen P.
Keiji Morokuma
Koga N.
Komornicki A.
Kürti L.
Laio A.
Maddox J.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maseras F.
McIver J. W.
Munro L. J.
Murrell J. N.
Müller E. M.
Müller K.
Niu S.
Nádasdi R.
Ohno K.
Ohno K.
Ohno K.
Page M.
Pancíř J.
Peters B.
Phillips J. C.
Piela L.
Pulay P.
Quapp W.
Quapp W.
Quapp W.
Rowe D. J.
Satoshi Maeda
Schatz G. C.
Schlegel H. B.
Schlegel H. B.
Schlegel H. B.
Shanno D. F.
Sheppard D.
Sun J.-Q.
Svensson M.
Torrie G. M.
Trygubenko S. A.
Vreven T.
Vreven T.
Wales D. J.
Wales D. J.
Woodley S. M.
Woodward R. B.
Woodward R. B.
Xiao H.
Zhang P.
Ziegler T.
Černohorský M.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref
An Automated and Systematic Transition Structure Explorer in Large Flexible Molecular Systems Based on Combined Global Reaction Route Mapping and Microiteration Methods
Author
Ayala P. Y.
Banerjee A.
+92 more
Basilevsky M. V.
Basilevsky M. V.
Bell R. P.
Billeter S. R.
Bofill J. M.
Bofill J. M.
Bondensgård K.
Broyden C. G.
Cerjan C. J.
Crehuet R.
Culot P.
Dallos M.
Dapprich S.
Davidson E. R.
E W.
Evans M. G.
Farkas Ö.
Field M. J.
Fletcher R.
Fogarasi G.
Fukui K.
Golab J. T.
Goldfarb D.
Gonzalez C.
Greengard L.
Hall R. J.
Hayashi S.
Helgaker T.
Henkelman G.
Hirsch M.
Hirsch M.
Hoffman D. K.
Ishida K.
Jensen F.
Jorgensen W. L.
Jørgensen P.
Kudin K. N.
Lee V. Y.
Lundberg M.
Luo Y.
Luo Y.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maeda S.
Maseras F.
Miller W. H.
Morokuma K.
Moteki M.
Murphy R. B.
Murtagh B.
Müller K.
Ohno K.
Ohno K.
Ohno K.
Page M.
Pancíř J.
Peng C.
Peng C.
Peters B.
Powell M. J. D.
Pulay P.
Quapp W.
Quapp W.
Quapp W.
Quapp W.
Rappé A. K.
Rowe D. J.
Schlegel H. B.
Schlegel H. B.
Schlegel H. B.
Sekiguchi A.
Sekiguchi A.
Sekiguchi A.
Shanno D. F.
Singh U. C.
Sun J.-Q.
Svensson M.
Vreven T.
Vreven T.
Warshel A.
Watanabe Y.
Yang X.
Yang X.
Yang X.
Zhang Y. K.
Publication venue
'American Chemical Society (ACS)'
Publication date
Field of study
No full text
Crossref