Vogt N - Search Results

1

How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide.

Demaison J , Vogt N , Saragi RT , Juanes M , Rudolph HD , Lesarri A . Demaison J , et al. Among authors: vogt n. Phys Chem Chem Phys. 2019 Sep 18;21(36):19732-19736. doi: 10.1039/c9cp02508a. Phys Chem Chem Phys. 2019. PMID: 31192318

2

Why it is sometimes difficult to determine the accurate position of a hydrogen atom by the semiexperimental method: structure of molecules containing the OH or the CH3 group.

Vogt N, Demaison J, Vogt J, Rudolph HD. Vogt N, et al. Among authors: vogt j. J Comput Chem. 2014 Dec 15;35(32):2333-42. doi: 10.1002/jcc.23758. Epub 2014 Oct 18. J Comput Chem. 2014. PMID: 25327903

3

Electron delocalization in polyenes: a semiexperimental equilibrium structure for (3E)-1,3,5-hexatriene and theoretical structures for (3Z,5Z)-, (3E,5E)-, and (3E,5Z)-1,3,5,7-octatetraene.

Craig NC, Demaison J, Groner P, Rudolph HD, Vogt N. Craig NC, et al. Among authors: vogt n. J Phys Chem A. 2015 Jan 8;119(1):195-204. doi: 10.1021/jp510237h. Epub 2014 Dec 16. J Phys Chem A. 2015. PMID: 25465856

4

Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH.

Vogt N, Demaison J, Rudolph HD, Perrin A. Vogt N, et al. Phys Chem Chem Phys. 2015 Nov 11;17(45):30440-9. doi: 10.1039/c5cp05444c. Phys Chem Chem Phys. 2015. PMID: 26509480

5

The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations.

Vogt N, Demaison J, Cocinero EJ, Écija P, Lesarri A, Rudolph HD, Vogt J. Vogt N, et al. Among authors: vogt j. Phys Chem Chem Phys. 2016 Jun 21;18(23):15555-63. doi: 10.1039/c6cp01842d. Epub 2016 May 23. Phys Chem Chem Phys. 2016. PMID: 27212641

6

Accurate Determination of Equilibrium Structure of 3-Aminophthalonitrile by Gas Electron Diffraction and Coupled-Cluster Computations: Structural Effects Due to Intramolecular Charge Transfer.

Vogt N, Savelyev DS, Giricheva NI, Islyaikin MK, Girichev GV. Vogt N, et al. J Phys Chem A. 2016 Nov 10;120(44):8853-8861. doi: 10.1021/acs.jpca.6b08241. Epub 2016 Oct 31. J Phys Chem A. 2016. PMID: 27797521

7

N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine.

Vallejo-López M, Écija P, Vogt N, Demaison J, Lesarri A, Basterretxea FJ, Cocinero EJ. Vallejo-López M, et al. Among authors: vogt n. Chemistry. 2017 Nov 21;23(65):16491-16496. doi: 10.1002/chem.201702232. Epub 2017 Oct 9. Chemistry. 2017. PMID: 28759141

8

Axial-equatorial isomerism and semiexperimental equilibrium structures of fluorocyclohexane.

Juanes M, Vogt N, Demaison J, León I, Lesarri A, Rudolph HD. Juanes M, et al. Among authors: vogt n. Phys Chem Chem Phys. 2017 Nov 8;19(43):29162-29169. doi: 10.1039/c7cp06135h. Phys Chem Chem Phys. 2017. PMID: 29086779

9

Semiexperimental and mass-dependent structures by the mixed regression method: Accurate equilibrium structure and failure of the Kraitchman method for ethynylcyclohexane.

Vogt N, Demaison J, Rudolph HD, Juanes M, Fernández J, Lesarri A. Vogt N, et al. J Chem Phys. 2018 Feb 14;148(6):064306. doi: 10.1063/1.5018053. J Chem Phys. 2018. PMID: 29448780

10

Experiment and theory at the convergence limit: accurate equilibrium structure of picolinic acid by gas-phase electron diffraction and coupled-cluster computations.

Vogt N, Marochkin II, Rykov AN. Vogt N, et al. Phys Chem Chem Phys. 2018 Apr 18;20(15):9787-9795. doi: 10.1039/C8CP00310F. Phys Chem Chem Phys. 2018. PMID: 29564453

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