S
Stephen Bell
Researcher at University of Dundee
Publications - 56
Citations - 950
Stephen Bell is an academic researcher from University of Dundee. The author has contributed to research in topics: Ab initio & Ab initio quantum chemistry methods. The author has an hindex of 17, co-authored 56 publications receiving 922 citations. Previous affiliations of Stephen Bell include University of Oxford.
Papers
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Journal ArticleDOI
Locating transition states
Stephen Bell,James S. Crighton +1 more
TL;DR: In this article, a method for locating saddle points on multidimensional surfaces by combining aspects of the conjugate gradients method and the quasi-Newton minimization method is described with modifications to make it more robust.
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A new efficient method for locating saddle points
TL;DR: A direct method is described for locating saddle points on multidimensional surfaces that combines aspects of the conjugate gradient method and the quasi-Newton minimization method.
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The far infrared spectrum, ab initio calculations and conformational energy differences of 1-butene
TL;DR: In this paper, a wide range of basis sets and ab initio theoretical methods up to MP4 have been used in order to predict the cis-gauche conformational energy difference.
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An emission system of CS in the vacuum and near ultraviolet
Stephen Bell,T. L. Ng,C. Suggitt +2 more
TL;DR: In this article, a new emission system of CS has been observed in the vacuum and near ultraviolet produced by a microwave discharge in carbon disulphide. The system arises from the transition A ǫ 1 Σ + -X 1 Á +.
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The π∗ ← n transition of formic acid
T. L. Ng,Stephen Bell +1 more
TL;DR: In this paper, the rotational constants for the excited state are S ‘ = 1.8755, B ‘ 0.4042, C ‘= 0.3378 cm −1 by the plausible assumption that the important changes in the molecule are in the C=0 bond length, the OCO angle, and the nonplanarity due to the formyl hydrogen.