Books and Book Chapters:

14. “Matrix Isolation in Heterocyclic Chemistry”, J. P. L. Roque, C. M. Nunes and R. Fausto, in “Heterocycles- Synthesis, Catalysis, Sustainability and Characterization”, T. M. V. D.Pinho e Melo and M. Piñeiro, Eds., Wiley, 2022.

13. “Intramolecular Hydrogen Bonding: Shaping Conformers’ Structure and Stability”, G. O. Ildiz and R. Fausto, in “Spectroscopy and Computation of Hydrogen-Bonded Systems”, M. J. Wojcik and Y. Ozaki, Eds., Wiley, 2022.

12. “Blood Serum Infrared Spectra Based Chemometric Models for Auxiliary Diagnosis of Autism Spectrum Disorder”, G. O. Ildiz, S. H. Bayari, N. Yorguner and R. Fausto, in “Neural Engineer Techniques for Autism Spectrum Disorder”, Eds. A. S. El-Baz and A. Mahmoud, Volume 1: Imaging and Signal Analysis, Elsevier, Amsterdam (Netherlands), Chapter 10, pp. 185-213.

11. “Direct Observation of Tunneling Reactions by Matrix Isolation Spectroscopy”, C. M. Nunes, I. Reva and R. Fausto, in “Tunnelling in Molecules: Nuclear Quantum Effects from Bio to Physical Chemistry”, Eds. J. Kastner and S. Kozuck, The Royal Society of Chemistry, London (UK). Theoretical and Computational Chemistry Series, No. 18. 2020 Chapter 1. 60 pp.

10. “Hydantoins and Mercaptoimidazoles: Vibrational Spectroscopy as a Probe of Structure and Reactivity in Different Environments, from the Isolated Molecule to Polymorphs”, R. Fausto, G. O. Ildiz, E. M. Brás and B. A. Nogueira, in “Molecular Spectroscopy – Experiment and Theory – From Molecules to Functional Materials”, Challenges and Advances in Computational Chemistry and Physics, (Eds. A. Kolezynski and M. Krol), Springer-Nature International Publishers, Amsterdam (Netherlands), Vol 26, Chapter 7, 2018. ISBN: 978-3-030-01354-7.

9. “Photogeneration of Rare Molecules in Cryogenic Matrices: Spectroscopists’ Adventures in Wonderland”, R. Fausto, in Frontiers and Advances in Molecular Spectroscopy, Ed. J. Laane, Elsevier Science, Amsterdam (netherlands), ISBN: 978-0-12-811220-5, 2017. Chapter 19, pp. 631-663.

8. “Biologically Relevant Molecules Studied in Low Temperature Inert Matrices”, R. Fausto and N. Kus, in “Optical Spectroscopy and Computatinal Methods in Biology and Medicine”, Ed. M. Baranska, Springer International Publishers, Amsterdam (Netherlands), ISBN: 978-94-007-7831-3, 2014. Chapter 7. Pp. 179-211.

7. “Conformational Changes in Cryogenic Matrices”. R. Fausto L. Khriachtchev and P. Hamm, em “Physics and Chemistry at Low Temperatures”, (Ed. L. Khriachtchev), World Scientific.  ISBN: 978-981-4267-51-9. (2010) Chapter 3. pp. 51-84.

6. “Matrix Isolation Spectroscopy in Heterocycle Chemistry”. R. Fausto, I. D. Reva and A. Gómez-Zavaglia, in “Recent Research Developments in Heterocyclic Chemistry” (Eds. T. M. V. D. Pinho e Melo and A. M. d´A. Rocha Gonsalves), 37/661 (2), Fort P.O., Trivandrum-695 023, Kerala, India, 2007. ISBN: 81-308-0169-8.

5. “Tempo e Ciência” – Ed. R. Fausto and R. Marnoto, Colecção Ciência Aberta, Gradiva, Lisbon, 2006, ISBN 989-616-096-1.

4. “Fronteiras da Ciência: Desenvolvimentos Recentes, Desafios Futuros”, Ed. R. Fausto, C. Fiolhais and J. F. Queiró, Colecção Ciência Aberta, Gradiva/Imprensa da Universidade de Coimbra, Lisbon, 2003, ISBN 972-662-923-3.

3. "Low Temperature Molecular Spectroscopy", Ed. R. Fausto, NATO-ASI Series C483, Kluwer Inc., Amsterdam (Netherlands), 1996.

2. "Recent Experimental and Computational Advances in Molecular Spectroscopy", Ed. R. Fausto, NATO-ASI Series C306, Kluwer Inc., Amsterdam (Netherlands), 1993.

1. "Pascal: Programação e Aplicações", J. J. C. Teixeira-Dias, P. J. A. Ribeiro-Claro, R. Fausto e L. A. E. Batista de Carvalho, Ed. Livraria Minerva and FCCN. 1st Edition 1988; 2nd Edition, Coimbra, 1993.

Articles:

57. “Micro-Raman Spectroscopy and X-ray Diffraction Analyses of the Core and Shell Compartments of an Iron-Rich Fulgurite”, A. Karadag, E. Kaygısız, T. Nikitin, N. Aysal, G. O. Ildiz and R. Fausto, Molecules, 27 (2022) 3053.

56. “Photochromism of a Spiropyran in Low-Temperature Matrix. Unprecedented Bidirectional Switching Between a Merocyanine and a Allene Intermediate”, C. M. Nunes, N. A. M. Pereira and R. Fausto, J. Phys. Chem. A. 126 (2022) 2222.

55. “Investigation of Menopause-induced Changes on Hair by Raman Spectroscopy and Chemometrics”, A. L. B. Brito, C. Brüggen, G. O. Ildiz and R. Fausto, Spectrochimica Acta A, 275 (2022) 121175.

54. “Portrayal of the Color Polymorphism in the 5-Acetyl-derivative of ROY”, B. A. Nogueira, M. Carvalho, J. A. Paixão, M. E. S. Eusébio, S. M. M. Lopes, T. M. V. D. Pinho e Melo and R. Fausto, CrystEngCom, 24 (2022) 1459.

53. “IR-induced and Tunneling Reactions in Cryogenic Matrices: The (Incomplete) Story of a Successful Endeavor”, R. Fausto, Gulce O. Ildiz and C. M. Nunes, Chem. Soc. Rev., 51 (2022) 2853.

52. “Molecular Structure, Spectroscopy and Photochemistry of Alprazolam”, G. O. Ildiz, A. M. Tabanez, A. Nunes, J. P. L. Roque, L. L. G. Justino, M. L. Ramos and R. Fausto, J. Mol. Struc. 1247 (2021) 131295.

51. “Inducing Bond-Breaking/Bond-Forming Reactions by Infrared Vibrational Excitation of a Remote Antenna”, C. M. Nunes, N. A. M. Pereira, L. P. Viegas, T. M. V. D. Pinho e Melo and  R. Fausto, Chem. Comm. 57 (2021) 9570.

50. “Switching on H-tunneling Through Conformation Control”, J. P. L. Roque, C. M. Nunes, L. P. Viegas, N. A. M. Pereira, T. M. D. V. Pinho e Melo, P. R. Schreiner and R. Fausto, J. Am. Chem. Soc. 143 (2021)  8266.

49. “The Correlation between Experimental Polarized Raman Spectra and Their DFT Prediction in the LCAO Framework: the R₃c LiNbO₃ Crystal as a Test Case”, B A. Nogueira, A. Milani, C. Castiglioni and R. Fausto, J. Raman Spectrosc., 52 (2021) 995.

48. “Spin-Forbidden Heavy-Atom Tunneling in the Ring-Closure of Triplet Cyclopentane-1,3-diyl”, L. P. Viegas, C. M. Nunes and R. Fausto, PCCP, 23 (2021)  5797. “HOT Article”, in “2021 PCCP HOT Articles”.

47. “Structural Aspects of the ortho Chloro- and Fluoro- Substituted Benzoic Acids: Implications on Chemical Properties”, G. O. Ildiz and R. Fausto, Molecules, 25 (2020) 4908.

46. “Bond-Breaking/Bond-Forming Reactions by Vibrational Excitation: Infrared-Induced Bidirectional Tautomerization of Matrix-Isolated Thiotropolone”, C. M. Nunes, N. A. M. Pereira, I. Reva, P. S. M. Amado, M. L. S. Cristiano and R. Fausto, J. Phys. Chem. Lett., 11 (2020) 8034.

45. “Heavy-Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2-Formylarylnitrene to a Singlet 2,1-Benzisoxazole”, C. M. Nunes, L. P. Viegas, S. A. Wood, J. P. L. Roque, R. J. McMahon and R. Fausto, Angew. Chemie Intl. Ed., 59 (2020) 2 – “VIP paper – Top 5%”.

44. “Auxiliary Differential Diagnosis of Schizophrenia and Phases of Bipolar Disorder Based on the Blood Serum Raman Spectra”, G. O. Ildiz, S. Bayari, U. M. Aksoy, N. Yorgunere, H. Bulut, S. S. Yılmaz, G. Halimoğlu, H. Nur Kabuk, G. Yavuza and R. Fausto, J. Raman Spectrosc., 51 (2020) 2233.

43. “Color Polymorphism in Organic Crystals”, B. A. Nogueira, C. Castiglioni and R. Fausto, Comm. Chem. - Nature, 3 (2020) Art. Nº 34.

42. “Enhanced Solid-State Stability of Amorphous Ibrutinib Formulations Prepared by Hot-Melt Extrusion”, M. F. Simões, B. A. Nogueira, A. M. Tabanez, R. Fausto, R. M. A. Pinto and S. Simões, Intl. J. Pharmaceut., 579 (2020) 119156.

41. “Conformational Control over Thiol Forms of Thioacetamide by Selective Excitation of NH Imino Vibrational Antennas”, S. Góbi, I. Reva, I. Csonka, C. M. Nunes, G. Tarczay and R. Fausto, PCCP, 21 (2019) 24935. –HOT ARTICLE.

40. “Conformational Isomerization Triggered by Vibrational Excitation of a Second Stretching Overtones”, C. M. Nunes, I. Reva and R. Fausto, PCCP, 21 (2019) 24993. –HOT ARTICLE.

39. “Competitive Nitrogen versus Carbon Tunnelling”, C. M. Nunes, A. K. Eckhardt, I. Reva, R. Fausto and P. R. Schreiner, J. Am. Chem. Soc. 141 (2019) 14340.

38. “Formic Acid Dimers in a Nitrogen Matrix”, S. Lopes, R. Fausto and L. Khriachtchev, J. Chem. Phys., 148 (2018) 034301.

37. “Photochemistry of 2-Formyl-Phenylnitrene: A Doorway to Heavy-Atom Tunneling of a Benzazirine to a Cyclic Ketenimine”, C. M. Nunes, I. Reva, S. Kozuch, R. J. McMahon and R. Fausto, J. Am. Chem. Soc., 139 (2017) 17649.

36. “Evidence of a Nitrene Tunneling Reaction: Spontaneous Rearrangement of 2-Carboxyaldehyde Phenylnitrene to Imino Ketene in Low-Temperature Matrices”, C. M. Nunes, S. N. Knezz, I. Reva, R. Fausto and R. J. NcMahon, J. Am. Chem. Soc., 138 (2016) 15287.

35. “Conformational Switching by Vibrational Excitation of a Remote NH Bond”, A. J. Lopes Jesus, I. Reva and R. Fausto, J. Am. Chem.Soc., 137 (2015) 14240. – Cover!

34. “Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated 5-Hydroxyquinoline”, N. Kuş, S. Sadginc and R. Fausto, J. Phys. Chem. A, 119 (2015) 6296.

33. “Bond-Shift Isomers: The Co-existence of Allenic and Propargylic Phenylnitrile Imines”, C. M. Nunes, I. Reva, R. Fausto, D. Bégué and C. Wentrup, Chem. Comm., 51 (2015) 14712. – Cover!

32. “Photogeneration of the Thione Forms of Thiophenol”, I. Reva, M. J. Nowak, L. Lapinski and R. Fausto, PCCP, 17 (2015) 4775. – Cover!

31. “Structural and Spectroscopic Characterization of E- and Z- Isomers of Azobenzene”, L. Duarte, I. Reva and R. Fausto, PCCP, 16 (2014) 16849. – Cover!

30. “Matrix Isolation Infrared Spectrum and Photochemistry of Hydantoin”, G. O. Ildiz, C. M. Nunes and R. Fausto, J. Phys. Chem. A, 117 (2013) 726.

29. “Infrared Spectra and UV-Tunable Laser Induced Photochemistry of Matrix-Isolated Phenol and Phenol-d₅”, I. D. Reva, B. M. Giuliano, L. Lapinski and R. Fausto, J. Chem. Phys., 136 (2012) 024505.

28. “Pyrolysis of Isoxazole Revisited: A New Primary Product and the Pivotal Role of the Vinylnitrene. A Low-Temperature Matrix Isolation and Computational Study”, C. M. Nunes, I. Reva, T. M. V. D. Pinho e Melo, R. Fausto and T. Bally, J. Am. Chem. Soc., 133 (2011) 18911.

27. “Conformation-Changing Aggregation in Hydroxyacetone: A Combined Low Temperature FTIR, Jet and Crystal Study”, A. Sharma, I. Reva, R. Fausto, S. Hesse, M. A. Suhm, S. K. Nayak, R. Sathiskumar, R. Pal and T. N. Guru-Row, J. Am. Chem. Soc., 133 (2011) 20194.

26. “NIR-Laser-Induced Selective Rotamerization of Hydroxy Conformers of Cytosine”, L. Lapinski, M. J. Nowak, I. Reva, H. Rostkowska and R. Fausto, PCCP 12 (2010) 9615.

25. “Conformational Cooling Dynamics in Matrix-Isolated 1,3-butanediol”, M. T. S. Rosado, A. J. Lopes Jesus, I. D. Reva, R. Fausto and J. S. Redinha, J. Phys. Chem. A 113 (2009) 7499.

24. “Matrix Isolation Study and Ab Initio Calculations of the Structure and Spectra of Hydroxyacetone”, A. Sharma, I. Reva and R. Fausto, J. Phys. Chem. A, 112 (2008) 5935.

23. “Matrix-isolated Monomeric Tryptophan: Electrostatic Interactions as Nontrivial Factors Stabilizing Conformers”, A. Kaczor, I. D. Reva, L. M. Proniewicz and R. Fausto, J. Phys. Chem. A, 111 (2007) 2957.

22. “Importance of Entropy in the Conformational Equilibrium of Phenylalanine: a Matrix-Isolation Infrared Spectroscopy and DFT Study”, A. Kaczor, I. D. Reva, L. M. Proniewicz and R. Fausto, J. Phys. Chem. A, 110 (2006) 2360.

21. “Photochemical -Cleavage in Pyran-2-Thione: Generation of Aldehyde-Thioketene and Thioaldehyde-Ketene Photoproducts”, S. Breda, I. D. Reva, L. Lapinski and R. Fausto, ChemPhysChem, 6 (2005) 602.

20. “Matrix-Isolation FTIR and Theoretical Study of the UV-Induced Photochemistry of a-Pyrone”, S. Breda, I. Reva, L. Lapinski and R. Fausto, PCCP, 6 (2004) 929.

19. “Rotational Isomerism in Acetic Acid: The First Experimental Observation of the High-Energy Conformer”, E. M. S. Maçôas, L. Kriachtchev, M. Pettersson, R. Fausto and M. Räsänen, J. Am. Chem. Soc., 125 (2003) 16188.

18. “Conformational Isomerization of Formic Acid by Vibrational Excitation at Energies Below the Torsional Barrier”, M. Pettersson, E. M. S. Maçôas, L. Kriachtchev, R. Fausto and M. Räsänen, J. Am. Chem. Soc., 125 (2003) 4058.

17. “Molecular Structure and Infrared Spectra of Dimethyl Oxalate”, S. B. Lopes, L. Lapinski and R. Fausto, PCCP, 4 (2002) 1014.

16. “Low Temperature Matrix-Isolation and Solid State Vibrational Spectra of Tetrazole”, S. C. S. Bugalho, E. M. S. Maçôas, M. L. S. Cristiano and R. Fausto, PCCP, 3 (2001) 3541.

15. “Structural and Vibrational Characterization of Methyl Glycolate in the Low Temperature Crystalline and Glassy States”, S. Jarmelo, T. M. R. Maria, M. L. P. Leitão and R. Fausto, PCCP, 2 (2000) 1155.

14. “Prediction of ^99mTc-Biguanide Complex Structures and Their Interactions with Biological Molecules by Molecular Mechanics Calculations”, M. Neves and R. Fausto, Nucl. Med. Biol., 26 (1999) 85.

13. “Matrix-Isolation Infrared and Theoretical Studies of the Glycine Conformers”, S. G. Stepanian, I. D. Reva, E. D. Radchenko, M. T. S. Rosado, M. L. T. S. Duarte, R. Fausto and L. Adamowicz, J. Phys. Chem., 102 (1998) 1041.

12. "Vibrational Spectra (FT-IR, Raman and MI-IR) of a and b-alanine", M. T. S. Rosado, M. L. T. S. Duarte and R. Fausto, J. Mol. Struct., 410 (1997) 343.

11. "An Infrared and Raman Spectroscopic Study of Crystalline trans-Crotonic Acid", R. Fausto, J. Mol. Struct., 377 (1996) 181.

10. "Rotational Isomerism in Acrylic Acid: A Combined Matrix-Isolated Infrared, Raman and Ab Initio Molecular orbital Study", A. Kulbida, M. N. Ramos, M. Räsänen, J. Nieminen, O. Schrems and R. Fausto, J. Chem. Soc. Faraday Trans. II, 91 (1995) 1571.

9. "Rotational Isomerism in CH₃CH₂C(=S)SR (R= CH₃, CH₃CH₂): A Combined Vibrational Spectroscopic and Ab Initio Study", R. Fausto, A. G. Martins, J. J. C. Teixeira-Dias, P. J. Tonge and P. R. Carey, J. Phys. Chem., 98 (1994) 3592.

8. "Conformers, Vibrational Spectra and IR-Induced Rotamerization of Dichloroacetic Acid in Argon and Krypton Matrices", A. Kulbida and R. Fausto, J. Chem. Soc. Faraday Trans.II, 89 (1993) 4257.

7. "Conformational Analysis of Carbonyl and Thiocarbonyl Ethyl Esters: The HC(=X)YCH₂CH₃ (X,Y=O or S) Internal Rotation", R. Fausto, L. A. E. Batista de Carvalho and J. J. C. Teixeira-Dias, J. Comput. Chem., 13 (1992) 799.

6. "Elucidation of the Conformational Properties of N-formylglycine Dithio Acid by Ab Initio SCF-MO Calculations", R. Fausto, J. J. C. Teixeira-Dias and P. R. Carey, J. Am. Chem. Soc., 113 (1991) 2471.

5. "A Molecular Mechanics Force Field for Conformational Analysis of Aliphatic Acyclic Amines", L. A. E. Batista de Carvalho, J. J. C. Teixeira-Dias and R. Fausto, Struct. Chem., 1 (1990) 533.

4. "A Molecular Mechanics Force Field for Conformational Analysis of Simple Thiocarbonyl Compounds", R. Fausto, J. J. C. Teixeira-Dias and P. R. Carey, J. Mol. Struct., 212 (1989) 61.

3. "Ab Initio Structural and Conformational Studies of Thioacetone and Thiopropionaldehyde", R. Fausto, J. J. C. Teixeira-Dias and P. R. Carey, J. Mol. Struct. (Theochem.), 168 (1988) 179.

2. "A Molecular Mechanics Force Field for Conformational Analysis of Alkanethiols and Thioethers", R. Fausto, J. J. C. Teixeira-Dias and P. R. Carey, J. Mol. Struct., 159 (1987) 137.

1. "A Molecular Mechanics Force Field for Conformational Analysis of Simple Acyl Chlorides, Carboxylic Acids and Esters", J. J. C. Teixeira-Dias and R. Fausto, J. Mol. Struct., 144 (1986) 199.