David C. Clary - Publications, H-index & Citations

David C. Clary

university of oxford

67H指数

436论文数

1.9W被引数

收录论文 68

发表时间

Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

IF4.8

2022-04-20

OAAI

Kerkeni, B.; Garcia-Bernete, I; Rigopoulou, D.; Tew, D. P.; Roche, P. F.; Clary, D. C.

Computational analyses of the vibrational spectra of fentanyl, carfentanil and remifentanil

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2022-04-01

OAAI

Shan, Xiao; Lee, Linda; Clewes, Rhea J.; Howle, Christopher R.; Sambrook, Mark R.; Clary, David C.

The reaction step: general discussion

FARADAY DISCUSSIONS

IF3.1

2022-01-01

PREAI

Burke, Michael P.; Casavecchia, Piergiorgio; Cavallotti, Carlo; Clary, David C.; Doner, Anna; Green, William H.; Dana, Alon Grinberg; Guo, Hua; Heathcote, David; Hochlaf, Majdi; Klippenstein, Stephen J.; Kuwata, Keith T.; Lawrence, Joseph E.; Lourderaj, Upakarasamy; Mebel, Alexander M.; Milesevic, Dennis; Mullin, Amy S.; Thanh Lam Nguyen; Olzmann, Matthias; Orr-Ewing, Andrew J.; Osborn, David L.; Pazdera, Tobias M.; Robertson, Patrick A.; Robinson, Matthew S.; Rotavera, Brandon; Seakins, Paul W.; Shannon, Robin J.; Shiels, Oisin J.; Suits, Arthur G.; Trevitt, Adam J.; Troe, Juergen; Vallance, Claire; Welz, Oliver; Zhang, Feng; Zador, Judit

The properties of polycyclic aromatic hydrocarbons in galaxies: constraints on PAH sizes, charge and radiation fields

MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

IF4.8

2021-04-12

OAAI

Rigopoulou, D.; Barale, M.; Clary, D. C.; Shan, X.; Alonso-Herrero, A.; Garcia-Bernete, I; Hunt, L.; Kerkeni, B.; Pereira-Santaella, M.; Roche, P. F.

Analytic Route to Tunneling Splittings Using Semiclassical Perturbation Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-04-30

OAAI

Burd, Timothy A. H.; Clary, David C.

Application of one-dimensional semiclassical transition state theory to the CH3OH + H (sic) CH2OH/CH3O + H2 reactions 一维半经典过渡态理论在CH3OH H (sic) CH2OH/CH3O H2反应中的应用

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

IF3.7

2018-02-05

OAAI

Shan, Xiao; Clary, David C.

Modern theoretical chemistry: the legacy of Prof. John N. Murrell

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

IF3.7

2018-02-05

OAAI

Stace, Anthony J.; Clary, David C.

Precise characterisation of isolated molecules: general discussion

FARADAY DISCUSSIONS

IF3.1

2018-01-01

OAAI

Bacic, Zlatko; Benoit, David; Besemer, Matthieu; Bowman, Joel; Bradforth, Stephen; Clary, David; Donovan, Robert; Fischer, Ingo; Gianturco, Francesco; Hochlaf, Majdi; Houston, Paul; Knowles, Peter; Leone, Stephen; Linguerri, Roberto; Manthe, Uwe; McCoy, Anne B.; Petersen, Jens; Richardson, Jeremy; Shan, Xiao; Slavicek, Petr; Stoecklin, Thierry; Szalewicz, Krzysztof; van der Avoird, Ad; Wester, Roland; Worth, Graham; Zehnacker-Rentien, Anne

Molecules in confinement in clusters, quantum solvents and matrices: general discussion

FARADAY DISCUSSIONS

IF3.1

2018-01-01

OAAI

Bacic, Zlatko; Benoit, David; Biczysko, Malgorzata; Bowman, Joel; Bradforth, Stephen; Burd, Timothy; Chambaud, Gilberte; Clary, David; Crepin, Claudine; Dracinsky, Martin; Felker, Peter; Fischer, Ingo; Gianturco, Francesco; Hochlaf, Majdi; Kouril, Karel; Kratochvilova, Irena; Liu, ChunMei; McCoy, Anne; Miyazaki, Jun; Mouhib, Halima; Richardson, Jeremy; Slavicek, Petr; Stoecklin, Thierry; Szalewicz, Krzysztof; van der Avoird, Ad; Zehnacker-Rentien, Anne

Quantum dynamics of isolated molecules: general discussion

FARADAY DISCUSSIONS

IF3.1

2018-01-01

OAAI

Babikov, Dmitri; Benoit, David; Bowman, Joel; Burd, Timothy; Clary, David; Donovan, Robert; Fischer, Ingo; Gianturco, Francesco; Hochlaf, Majdi; Kar, Susmita; Kirrander, Adam; Leone, Stephen; Malcomson, Thomas; Manthe, Uwe; McCoy, Anne B.; Petersen, Jens; Richardson, Jeremy; Slavicek, Petr; Stoecklin, Thierry; Szalewicz, Krzysztof; van der Avoird, Ad; Wester, Roland; Worth, Graham; Zehnacker-Rentien, Anne

Spiers Memorial Lecture. Introductory lecture: quantum dynamics of chemical reactions

FARADAY DISCUSSIONS

IF3.1

2018-01-01

OAAI

Clary, David C.

Rate constants of chemical reactions from semiclassical transition state theory in full and one dimension

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-30

OAAI

Greene, Samuel M.; Shan, Xiao; Clary, David C.

An investigation of one-versus two-dimensional semiclassical transition state theory for H atom abstraction and exchange reactions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-02-25

OAAI

Greene, Samuel M.; Shan, Xiao; Clary, David C.

Fundamentals: general discussion

FARADAY DISCUSSIONS

IF3.1

2016-01-01

PREAI

Althorpe, Stuart C.; Beniwal, Vijay; Bolhuis, Peter G.; Brandao, Joao; Clary, David C.; Ellis, John; Fang, Wei; Glowacki, David R.; Hele, Timothy J. H.; Jonsson, Hannes; Kastner, Johannes; Makri, Nancy; Manolopoulos, David E.; McKemmish, Laura K.; Menzl, Georg; Miller, Thomas F., III; Miller, William H.; Pollak, Eli; Rampino, Sergio; Richardson, Jeremy O.; Richter, Martin; Chowdhury, Priyadarshi Roy; Shalashilin, Dmitry; Tennyson, Jonathan; Welsch, Ralph

An efficient route to thermal rate constants in reduced dimensional quantum scattering simulations: Applications to the abstraction of hydrogen from alkanes

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-09-07

PREAI

von Horsten, H. F.; Banks, S. T.; Clary, D. C.

Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇆ CH4 Cl on ab initio surfaces

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2011-05-26

OAAI

Remmert, Sarah M.; Banks, Simon T.; Harvey, Jeremy N.; Orr-Ewing, Andrew J.; Clary, David C.