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Goursot, A.
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1

Contribution of high-energy conformations to NMR chemical s..:

Goursot, A. ; Mineva, T. ; Vásquez-Pérez, J. M....
Phys. Chem. Chem. Phys..  15 (2013)  3 - p. 860-867 , 2013
Link: https://doi.org/10.1039/..
 
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2

Structure, Dynamics, and Energetics of Lysobisphosphatidic ..:

Goursot, A. ; Mineva, T. ; Bissig, C...
The Journal of Physical Chemistry B.  114 (2010)  47 - p. 15712-15720 , 2010
Link: https://doi.org/10.1021/..
 
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3

Density Functional Theory-Based Conformational Analysis of ..:

Krishnamurty, S. ; Stefanov, M. ; Mineva, T....
The Journal of Physical Chemistry B.  112 (2008)  42 - p. 13433-13442 , 2008
Link: https://doi.org/10.1021/..
 
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4

One-electron quantum capping potential for hybrid QM/MM stu..:

Jardillier, N. ; Goursot, A.
Chemical Physics Letters.  454 (2008)  1-3 - p. 65-69 , 2008
Link: https://doi.org/10.1016/..
 
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5

Theoretical study of the structure and properties of Na-MOR..:

Dominguez-Soria, V. D. ; Calaminici, P. ; Goursot, A.
The Journal of Chemical Physics.  127 (2007)  15 - p. , 2007
Link: https://doi.org/10.1063/..
 
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6

Dissociation, solvation, and dynamics of HBr in small water..:

Goursot, A. ; Fischer, G. ; Lovallo, C. C..
Theoretical Chemistry Accounts.  114 (2005)  1-3 - p. 115-123 , 2005
Link: https://doi.org/10.1007/..
 
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7

Applied density functional theory and the deMon codes 1964–..:

, In: Theory and Applications of Computational Chemistry,
Salahub, D.R. ; Goursot, A. ; Weber, J... - p. 1079-1097 , 2005
Link: https://doi.org/10.1016/..
 
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8

Corrigendum to ?Toward a molecular description of heterogen..:

GOURSOT, A
Journal of Catalysis.  , 2004
Link: https://doi.org/10.1016/..
 
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9

Atomic multiplet energies from density functional calculati..:

Mineva, T ; Goursot, A ; Daul, C
Chemical Physics Letters.  350 (2001)  1-2 - p. 147-154 , 2001
Link: https://doi.org/10.1016/..
 
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10

Properties of CO adsorbed in ZSM5 zeolite: Density function..:

Wesołowski, T. A. ; Goursot, A. ; Weber, J.
The Journal of Chemical Physics.  115 (2001)  10 - p. 4791-4797 , 2001
Link: https://doi.org/10.1063/..
 
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11

Influence of zeolite composition on the selectivity of alky..:

Deka, R.C. ; Pal, S. ; Goursot, A..
Catalysis Today.  49 (1999)  1-3 - p. 221-227 , 1999
Link: https://doi.org/10.1016/..
 
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12

Prediction of 29Si MAS NMR chemical shifts in zeolites usin..:

Valerio, G. ; Goursot, A. ; Vetrivel, R..
Microporous and Mesoporous Materials.  30 (1999)  1 - p. 111-117 , 1999
Link: https://doi.org/10.1016/..
 
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13

Relationships between the structure of a zeolite and its ad..:

Arbuznikov, A. ; Vasilyev, V. ; Goursot, A.
Surface Science.  397 (1998)  1-3 - p. 395-405 , 1998
Link: https://doi.org/10.1016/..
 
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14

The influence of the geometric parameters on the electronic..:

Krishnamurty, S ; Pal, S ; Vetrivel, R...
Journal of Molecular Catalysis A: Chemical.  129 (1998)  2-3 - p. 287-295 , 1998
Link: https://doi.org/10.1016/..
 
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15

Density Functional Calculations of the 29Si and 27Al MAS NM..:

Valerio, G. ; Goursot, A.
The Journal of Physical Chemistry B.  103 (1998)  1 - p. 51-58 , 1998
Link: https://doi.org/10.1021/..
 
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