June 01, 1982 article Optimization of equilibrium geometries and transition structures Journal of Computational Chemistry DOI: 10.1002/jcc.540030212 OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 3,936 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics 2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies 0 citations Skeletal Torsion Tunneling and Methyl Internal Rotation: The Coupled Large Amplitude Motions in Phenyl Acetate 2022 Molecules article Chemistry Molecular Spectroscopy and Structure Open access 10 citations The microwave spectrum of 2-methylthiazole: 14N nuclear quadrupole coupling and methyl internal rotation 2020 The Journal of Chemical Physics article Chemistry Molecular Spectroscopy and Structure Open access 21 citations Coupled large amplitude motions: The effects of two methyl internal rotations and 14N quadrupole coupling in 4,5-dimethylthiazole investigated by microwave spectroscopy 2020 Journal of Molecular Structure article Chemistry Molecular Spectroscopy and Structure Open access 27 citations Do defects in PAHs promote catalytic activity in space? Stone–Wales pyrene as a test case 2020 Physical Chemistry Chemical Physics article Physics and Astronomy Astrophysics and Star Formation Studies Open access 13 citations 5 results References 0