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Huniar, Uwe
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1

r2SCAN-D4: Dispersion corrected meta-generalized gradient a..:

Ehlert, Sebastian ; Huniar, Uwe ; Ning, Jinliang...
The Journal of Chemical Physics.  154 (2021)  6 - p. , 2021
Link: https://doi.org/10.1063/..
 
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2

COSMOperm: Mechanistic Prediction of Passive Membrane Perme..:

Schwöbel, Johannes A. H. ; Ebert, Andrea ; Bittermann, Kai...
The Journal of Physical Chemistry B.  124 (2020)  16 - p. 3343-3354 , 2020
Link: https://doi.org/10.1021/..
 
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3

TURBOMOLE: Modular program suite for ab initio quantum-chem..:

Balasubramani, Sree Ganesh ; Chen, Guo P. ; Coriani, Sonia...
The Journal of Chemical Physics.  152 (2020)  18 - p. , 2020
Link: https://doi.org/10.1063/..
 
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4

COSMOplex: self-consistent simulation of self-organizing in..:

Klamt, Andreas ; Schwöbel, Johannes ; Huniar, Uwe...
Physical Chemistry Chemical Physics.  21 (2019)  18 - p. 9225-9238 , 2019
Link: https://doi.org/10.1039/..
 
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5

Prediction of Phospholipid–Water Partition Coefficients of ..:

Bittermann, Kai ; Spycher, Simon ; Endo, Satoshi...
The Journal of Physical Chemistry B.  118 (2014)  51 - p. 14833-14842 , 2014
Link: https://doi.org/10.1021/..
 
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6

thermocalc — A poor man's approach to computational thermoc..:

Hellweg, Arnim ; Diedenhofen, Michael ; Huniar, Uwe
Journal of Computational Chemistry.  33 (2012)  8 - p. 881-886 , 2012
Link: https://doi.org/10.1002/..
 
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7

TmoleX—A graphical user interface for TURBOMOLE:

Steffen, Claudia ; Thomas, Klaus ; Huniar, Uwe...
Journal of Computational Chemistry.  31 (2010)  16 - p. 2967-2970 , 2010
Link: https://doi.org/10.1002/..
 
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8

COSMOmic: A Mechanistic Approach to the Calculation of Memb..:

Klamt, Andreas ; Huniar, Uwe ; Spycher, Simon.
The Journal of Physical Chemistry B.  112 (2008)  38 - p. 12148-12157 , 2008
Link: https://doi.org/10.1021/..
 
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9

Gedämpfter Hartree-Fock Austausch für Dichtefunktionaltheor..:

Huniar, Uwe , 2006
Link: https://search.ebscohost..
 
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10

Density Functional Theory Calculations and Exploration of a..:

Huniar, Uwe ; Ahlrichs, Reinhart ; Coucouvanis, Dimitri
Journal of the American Chemical Society.  126 (2004)  8 - p. 2588-2601 , 2004
Link: https://doi.org/10.1021/..
 
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11

An Unusual Bonding Situation in a Novel AuI‐Phosphido Compl..:

Vogel, Ulf ; Sekar, Perumal ; Ahlrichs, Reinhart..
European Journal of Inorganic Chemistry.  2003 (2003)  8 - p. 1518-2522 , 2003
Link: https://doi.org/10.1002/..
 
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12

Density functional theory calculations on the nitrogenase c..:

Coucouvanis, Dimitri ; Han, Jaehong ; Ahlrichs, Reinhart..
Journal of Inorganic Biochemistry.  96 (2003)  1 - p. 19 , 2003
Link: https://doi.org/10.1016/..
 
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13

Sodium Tetra-tert-butylcyclopentaphosphanide: Synthesis, St..:

Schisler, Andrea ; Lönnecke, Peter ; Huniar, Uwe..
Angewandte Chemie International Edition.  40 (2001)  22 - p. 4217-4219 , 2001
Link: https://doi.org/10.1002/..
 
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14

Natriumtetra-tert-butylcyclopentaphosphanid - Synthese, Str..:

Schisler, Andrea ; Lönnecke, Peter ; Huniar, Uwe..
Angewandte Chemie.  113 (2001)  22 - p. 4345-4348 , 2001
Link: https://doi.org/10.1002/..
 
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15

A Metalloid Al14 Cluster with the Structure of a "Nano-Whee..:

Köhnlein, Harald ; Stösser, Gregor ; Baum, Elke...
Angewandte Chemie International Edition.  39 (2000)  4 - p. 799-801 , 2000
Link: https://doi.org/10.1002/..
 
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