39. Title: Ab initio calculation of the frequency-dependent interaction induced hyperpolarizability of Ar-2
Author(s): Fernandez, B; Hattig, C; Koch, H; et al.
Source: Journal of Chemical Physics Volume: 110 Issue: 6 Pages: 2872-2882 Published: FEB 8 1999

38. Title: Accurate intermolecular ground state potential of the Ar-N2 complex
Author(s): Fernández, B.
Source: Journal of Chemical Physics Volume: 110 Issue: 17 Pages: 8525-8532 Published: 1999
DOI: 10.1063/1.478760 / Author-provided URL : 
http://www.scopus.com/inward/record.url?eid=2-s2.0-0001694694&partnerID=MN8TOARS

37. Title: Benzene-argon S1 intermolecular potential energy surface
Author(s): Fernández, B.; Koch, H.; Makarewicz, J.
Source: Journal of Chemical Physics Volume: 111 Issue: 13 Pages: 5922-5928 Published: 1999
DOI: 10.1063/1.479887 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0042548944&partnerID=MN8TOARS

36. Title: Ground state benzene-argon intermolecular potential energy surface
Author(s): Koch, H.; Fernández, B.; Makarewicz, J.
Source: Journal of Chemical Physics Volume: 111 Issue: 1 Pages: 198-204 Published: 1999
DOI: 10.1063/1.479266 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0001187224&partnerID=MN8TOARS

35. Title: The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He2 and Ar2
Author(s): Hättig, C.; Larsen, H.; Olsen, J.; et al.
Source: Journal of Chemical Physics Volume: 111 Issue: 22 Pages: 10099-10107 Published: 1999
DOI: 10.1063/1.480361 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0038384842&partnerID=MN8TOARS

34. Title: The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients
Author(s): Koch, H.; Hättig, C.; Larsen, H.; et al.
Source: Journal of Chemical Physics Volume: 111 Issue: 22 Pages: 10108-10118 Published: 1999
DOI: 10.1063/1.480362 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0001096808&partnerID=MN8TOARS

33. Title: Accurate ab initio rovibronic spectrum of the X1\u03a3g + and B1\u03a3u + states in Ar2
Author(s): Fernández, B.; Koch, H.
Source: Journal of Chemical Physics Volume: 109 Issue: 23 Pages: 10255-10262 Published: 1998
DOI: 10.1063/1.477721 / Author-provided URL : 
http://www.scopus.com/inward/record.url?eid=2-s2.0-0041841776&partnerID=MN8TOARS

32. Title: MCSCF polarizability and hyperpolarizabilities of HCl and HBr
Author(s): Fernández, B.; Coriani, S.; Rizzo, A.
Source: Chemical Physics Letters Volume: 288 Issue: 5-6 Pages: 677-688 Published: 1998
DOI: 10.1016/S0009-2614(98)00355-8 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0032577148&partnerID=MN8TOARS

31. Title: The benzene-argon complex: A ground and excited state ab initio study
Author(s): Koch, H.; Fernández, B.; Christiansen, O.
Source: Journal of Chemical Physics Volume: 108 Issue: 7 Pages: 2784-2790 Published: 1998
DOI: 10.1063/1.475669 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0000720341&partnerID=MN8TOARS

30. Title: Hyperfine and nuclear quadrupole coupling in chlorine and fluorine dioxides
Author(s): Fernández, B.; Christiansen, O.; Jørgensen, P.; et al.
Source: Journal of Chemical Physics Volume: 106 Issue: 5 Pages: 1847-1855 Published: 1997
DOI: 10.1063/1.473324 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0031076095&partnerID=MN8TOARS

29. Title: Evaluation of the BeOH and MgOH hyperfine coupling tensors
Author(s): Fernández, B.
Source: Chemical Physics Letters Volume: 259 Issue: 5-6 Pages: 635-640 Published: 1996
DOI: 10.1016/0009-2614(96)00772-5 / Author-provided URL : 
http://www.scopus.com/inward/record.url?eid=2-s2.0-0030582286&partnerID=MN8TOARS


28. Title: Theory of hyperfine coupling constants of solvated molecules: Applications involving methyl and CIO2 radicals in different solvents
Author(s): Fernández, B.; Christiansen, O.; Bludsky, O.; et al.
Source: Journal of Chemical Physics Volume: 104 Issue: 2 Pages: 629-635 Published: 1996
DOI: 10.1063/1.470858 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-3843132129&partnerID=MN8TOARS

27. Title: Evaluation of hyperfine coupling tensors of the BeH and BeF radicals
Author(s): Fernandez, B.; Jørgensen, P.
Source: Chemical Physics Letters Volume: 232 Issue: 5-6 Pages: 463-471 Published: 1995
DOI: 10.1016/0009-2614(94)01394-B / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0001174346&partnerID=MN8TOARS

26. Title: PARAMETRIZATION OF A FORCE-FIELD FOR STUDYING SOME BETA-LACTAMS
Author(s): FERNANDEZ, B; RIOS, MA
Source: Journal of Computational Chemistry Volume: 15 Issue: 4 Pages: 455-465 Published: APR 1994
DOI: 10.1002/jcc.540150409

25. Title: A semi-empirical study of some clavulanic acid derivatives in relation to their activity as \u03b2-lactamase inhibitors
Author(s): Fernandez, B.; Rios, M.A.
Source: Journal of Pharmacy and Pharmacology Volume: 45 Issue: 1 Pages: 25-29 Published: 1993
DOI: 10.1111/j.2042-7158.1993.tb03673.x / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0027506756&partnerID=MN8TOARS

24. Title: Calculation of hyperfine coupling constants of the CN and CP ground state radicals
Author(s): Fernández, B.; Jørgensen, P.; Simons, J.
Source: The Journal of Chemical Physics Volume: 98 Issue: 9 Pages: 7012-7019 Published: 1993
DOI: 10.1063/1.464744 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-24844479745&partnerID=MN8TOAR ...

23. Title: Calculation of hyperfine coupling constants of the ground state X 3\u03a3- of NH and B2
Author(s): Fernández, B.; Jørgensen, P.; McCullough Jr., E.A.; et al.
Source: The Journal of Chemical Physics Volume: 99 Issue: 8 Pages: 5995-6003 Published: 1993
DOI: 10.1063/1.465898 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0001693115&partnerID=MN8TOARS

22. Title: Interpretation of the hyperfine coupling constants of the boron trimer in rare-gas matrices
Author(s): Fernández, B.; Jørgensen, P.; Simons, J.
Source: Journal of Chemical Physics Volume: 98 Issue: 4 Pages: 3060-3065 Published: 1993
DOI: 10.1063/1.464132 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0242653157&partnerID=MN8TOARS

21. Title: A theoretical study of 1-amino-3-butene and 3-butene-1-thiol
Author(s): Fernández, B.; Vázquez, S.A.; Ríos, M.A.
Source: Structural Chemistry Volume: 3 Issue: 4 Pages: 225-229 Published: 1992
DOI: 10.1007/BF00672789 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-4243316677&partnerID=MN8TOARS

20. Title: An ab initio 4-21G gradient study of clavulanic acid
Author(s): Fernandez, B.; Van Alsenoy, C.
Source: Structural Chemistry Volume: 3 Issue: 5 Pages: 321-327 Published: 1992
DOI: 10.1007/BF00678556 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0345747017&partnerID=MN8TOARS

19. Title: Conformation and charge distribution of bicyclic \u03b2-lactams: Structure- activity relationships
Author(s): Fernandez, B.; Carballeira, L.; Rios, M.A.
Source: Biopolymers Volume: 32 Issue: 1 Pages: 97-106 Published: 1992
DOI: 10.1002/bip.360320112 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0026534316&partnerID=MN8TOARS

18. Title: Conformational analysis of tricyclic systems including the NCO unit by molecular mechanics IV. Perhydrocycloalkane [e] pyrido[1,2-c]-1,3-oxazines
Author(s): Carballeira, L.; Fernández, B.; Miranda, A.
Source: Journal of Molecular Structure Volume: 274 Issue: C Pages: 259-275 Published: 1992
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-33751050215&partnerID=MN8TOAR ...

17. Title: Spin polarization in restricted electronic structure theory: Multiconfiguration self-consistent-field calculations of hyperfine coupling constants
Author(s): Fernandez, B.; Jørgensen, P.; Byberg, J.; et al.
Source: The Journal of Chemical Physics Volume: 97 Issue: 5 Pages: 3412-3419 Published: 1992
DOI: 10.1063/1.462977 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0001269840&partnerID=MN8TOARS

16. Title: Structure-activity relationships in verapamil and analogues using molecular mechanics calculations
Author(s): Fernández, B.; Mosquera, R.; Uriarte, E.
Source: International Journal of Pharmaceutics Volume: 79 Issue: 1-3 Pages: 199-203 Published: 1992
DOI: 10.1016/0378-5173(92)90111-E / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0026542266&partnerID=MN8TOARS

15. Title: THEORETICAL-STUDY OF SOME NITRILES - INTRAMOLECULAR HYDROGEN-BONDS AND ANOMERIC EFFECT
Author(s): FERNANDEZ, B; VAZQUEZ, SA; RIOS, MA
Source: Journal of Computational Chemistry Volume: 13 Issue: 6 Pages: 722-729 Published: JUL-AUG 1992
DOI: 10.1002/jcc.540130607

14. Title: Tautomerism to be taken lightly
Author(s): F.R. Prieto, M. Novo, J.A.D. Herbón y B. Fernández
Source: Education in Chemistry, 29, 139-141 (1992).

13. Title: A semiempirical study of some clavulanic acid derivatives in relation to their activity as beta-lactamase inhibitors
Author(s): B. Fernández y M.A. Ríos.
Source: J. Pharmacy Pharmacol., 45, 25-29 (1992).

12. Title: An ab initio conformational analysis of isobutylamine and diisopropylamine
Author(s): Fernández, B.; Mosquera, R.A.; Rios, M.A.
Source: Journal of Molecular Structure: THEOCHEM Volume: 251 Issue: C Pages: 319-326 Published: 1991
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-44949271189&partnerID=MN8TOAR ...

11. Title: An ab initio study of proton transfer in triose reductone
Author(s): Fernández, B.; Ríos, M.A.
Source: Journal of Molecular Structure: THEOCHEM Volume: 226 Issue: 3-4 Pages: 181-196 Published: 1991
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-44949280973&partnerID=MN8TOAR ...

10. Title: Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics Part II. 4,5- and 5,6- Tetramethylene perhydro-1,3-oxazines
Author(s): Fernández, B.; Ríos, M.A.; Carballeira, L.
Source: Journal of Molecular Structure Volume: 246 Issue: 3-4 Pages: 301-319 Published: 1991
DOI: 10.1016/0022-2860(91)80136-R / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-4243273906&partnerID=MN8TOARS

9. Title: Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics. Part I. Perhydropyrido [1,2-c][1,3] oxazines
Author(s): Fernández, B.; Carballeira, L.; Ríos, M.A.
Source: Journal of Molecular Structure Volume: 245 Issue: 1-2 Pages: 53-67 Published: 1991
DOI: 10.1016/0022-2860(91)87006-4 / Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-4243305520&partnerID=MN8TOARS

8. Title: Conformational analysis of bicyclic systems including the NCO unit by molecular mechanics. Part III. Perhydro-oxazolo [3,4-a] pyridine, perhydro- oxazolo [3,4-c] [1,3]oxazines and perhydro [1,3] oxazino [3,4-c] [1,3]oxazines
Author(s): Fernández, B.; Carballeira, L.; A. Ríos, M.
Source: Journal of Molecular Structure Volume: 263 Issue: C Pages: 157-166 Published: 1991
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-44949272330&partnerID=MN8TOAR ...

7. Title: MOLECULAR MECHANICS (MM2) AND CONFORMATIONAL-ANALYSIS OF COMPOUNDS WITH NCO UNITS - PARAMETRIZATION OF THE FORCE-FIELD AND ANOMERIC EFFECT
Author(s): FERNANDEZ, B; RIOS, MA; CARBALLEIRA, L
Source: Journal of Computational Chemistry Volume: 12 Issue: 1 Pages: 78-90 Published: JAN-FEB 1991
DOI: 10.1002/jcc.540120109

6. Title: Ab initio gradient conformational analysis of polyazocyclohexanes:1,4-diazocyclohexane, 1,3-diazocyclohexane and 1,3,5-triazocyclohexane
Author(s): Carballeira, L.; Ferna\u0144dez, B.; Mosquera, R.A.; et al.
Source: Journal of Molecular Structure: THEOCHEM Volume: 205 Issue: C Pages: 223-234 Published: 1990
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0013145013&partnerID=MN8TOARS

5. Title: AB initio studies of molecules with N-C-O units. Part 2. 1-oxa-3-azacyclohexane, 1-oxa-3,5-diazacyclohexane and 1,3-dioxa-5-azacyclohexane
Author(s): Carballeira, L.; Fernández, B.; Ríos, M.A.
Source: Journal of Molecular Structure: THEOCHEM Volume: 206 Issue: 1-2 Pages: 29-38 Published: 1990
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-1542437145&partnerID=MN8TOARS

4. Title: Ab initio studies of molecules with N-C-O units. Part I. Methylaminomethanol, 1-methoxymethylamine and 1-methoxy-N-N-dimethyl-methylamine
Author(s): Carballeira, L.; Fernández, B.; Mosquera, R.A.; et al.
Source: Journal of Molecular Structure: THEOCHEM Volume: 205 Issue: C Pages: 235-244 Published: 1990
Author-provided URL : 
http://www.scopus.com/inward/record.url?eid=2-s2.0-0039536689&partnerID=MN8TOARS

3. Title: Ab initio studies of molecules with N-C-O units. Part III. 1-Methoxy-N-methyl-methylamine and 1-aminoethanol
Author(s): Carballeira, L.; Fernández, B.; Ríos, M.A.
Source: Journal of Molecular Structure: THEOCHEM Volume: 206 Issue: 3-4 Pages: 277-285 Published: 1990
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0040128210&partnerID=MN8TOARS

2. Title: Ab Initio studies of molecules with N-C-O units. Part IV. N,N-dimethylaminomethanol, 2-amino-2-propanol and 1-methylaminoethanol
Author(s): Carballeira, L.; Fernández, B.; Ríos, M.A.
Source: Journal of Molecular Structure: THEOCHEM Volume: 209 Issue: 3-4 Pages: 201-209 Published: 1990
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-0040722194&partnerID=MN8TOARS

1. Title: Study of the geometric trends and rotational constants of 1-fluoro-2-propanol and 2-fluoropropanol by Ab Initio calculations
Author(s): Fernández, B.; Mosquera, R.A.; Ríos, M.A.; et al.
Source: Tetrahedron Computer Methodology Volume: 2 Issue: 2 Pages: 85-92 Published: 1989
Author-provided URL : http://www.scopus.com/inward/record.url?eid=2-s2.0-26344436689&partnerID=MN8TOAR ...