Reis H - Search Results

1

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities.

Bulik IW, Zaleśny R, Bartkowiak W, Luis JM, Kirtman B, Scuseria GE, Avramopoulos A, Reis H, Papadopoulos MG. Bulik IW, et al. Among authors: reis h. J Comput Chem. 2013 Jul 30;34(20):1775-84. doi: 10.1002/jcc.23316. Epub 2013 May 16. J Comput Chem. 2013. PMID: 23677638

2

The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative study.

Avramopoulos A, Reis H, Li J, Papadopoulos MG. Avramopoulos A, et al. Among authors: reis h. J Am Chem Soc. 2004 May 19;126(19):6179-84. doi: 10.1021/ja036319b. J Am Chem Soc. 2004. PMID: 15137783

3

Novel 17beta-substituted conformationally constrained neurosteroids that modulate GABA A receptors.

Souli C, Avlonitis N, Calogeropoulou T, Tsotinis A, Maksay G, Bíró T, Politi A, Mavromoustakos T, Makriyannis A, Reis H, Papadopoulos M. Souli C, et al. Among authors: reis h. J Med Chem. 2005 Aug 11;48(16):5203-14. doi: 10.1021/jm050271q. J Med Chem. 2005. PMID: 16078839

4

Theoretical investigation of the (hyper)polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study.

Alparone A, Reis H, Papadopoulos MG. Alparone A, et al. Among authors: reis h. J Phys Chem A. 2006 May 4;110(17):5909-18. doi: 10.1021/jp0574605. J Phys Chem A. 2006. PMID: 16640389

5

Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilities.

Reis H, Grzybowski A, Papadopoulos MG. Reis H, et al. J Phys Chem A. 2005 Nov 10;109(44):10106-20. doi: 10.1021/jp052875b. J Phys Chem A. 2005. PMID: 16838931

6

A comparative study of the dipole polarizability of some Zn clusters.

Papadopoulos MG, Reis H, Avramopoulos A, Erkoç S, Amirouche L. Papadopoulos MG, et al. Among authors: reis h. J Phys Chem B. 2005 Oct 13;109(40):18822-30. doi: 10.1021/jp050897s. J Phys Chem B. 2005. PMID: 16853422

7

Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. II. Local field effects and optical susceptibilitities.

Reis H, Papadopoulos MG, Grzybowski A. Reis H, et al. J Phys Chem B. 2006 Sep 21;110(37):18537-52. doi: 10.1021/jp063529c. J Phys Chem B. 2006. PMID: 16970482

8

Calculation of the microscopic and macroscopic linear and nonlinear optical properties of liquid acetonitrile. II. Local fields and linear and nonlinear susceptibilities in quadrupolar approximation.

Avramopoulos A, Papadopoulos MG, Reis H. Avramopoulos A, et al. Among authors: reis h. J Phys Chem B. 2007 Mar 15;111(10):2546-53. doi: 10.1021/jp066630q. Epub 2007 Feb 21. J Phys Chem B. 2007. PMID: 17311448

9

Linear and nonlinear optical properties of some organoxenon derivatives.

Avramopoulos A, Serrano-Andrés L, Li J, Reis H, Papadopoulos MG. Avramopoulos A, et al. Among authors: reis h. J Chem Phys. 2007 Dec 7;127(21):214102. doi: 10.1063/1.2800023. J Chem Phys. 2007. PMID: 18067344

10

Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors.

Durdagi S, Reis H, Papadopoulos MG, Mavromoustakos T. Durdagi S, et al. Among authors: reis h. Bioorg Med Chem. 2008 Aug 1;16(15):7377-87. doi: 10.1016/j.bmc.2008.06.019. Epub 2008 Jun 14. Bioorg Med Chem. 2008. PMID: 18595717

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