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Progress in the Theory of X‑ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-05, Vol.125 (20), p.4276-4293

2021

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A Deep Neural Network for the Rapid Prediction of X‑ray Absorption Spectra

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-05, Vol.124 (21), p.4263-4270

2020

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Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network

The Journal of chemical physics, 2022-04, Vol.156 (16), p.164102-164102

2022

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The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics

The Journal of chemical physics, 2024-04, Vol.160 (15)

2024

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A deep neural network for valence-to-core X-ray emission spectroscopy

Molecular physics, 2023-04, Vol.121 (7-8)

2023

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Comparing MODIS and near-surface vegetation indexes for monitoring tropical dry forest phenology along a successional gradient using optical phenology towers

Environmental research letters, 2017-10, Vol.12 (10), p.105007

2017

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Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (26), p.17991-17998

2024

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A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics

Physical chemistry chemical physics : PCCP, 2016-10, Vol.18 (39), p.27170-27174

2016

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On the analysis of X-ray absorption spectra for polyoxometallates

Chemical physics letters, 2021-10, Vol.780, p.138893, Article 138893

2021

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Photo-induced structural dynamics of -nitrophenol by ultrafast electron diffraction

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (26), p.17991-17998

2024

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A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamicsElectronic supplementary information (ESI) available: Additional computational details, orbitals included in our SA3-CASSCF(10,8) active space (Fig. S1), xyz geometries (Tables S1-S3), LIIC pathways computed at the SA3-CASSCF(10,8) and LS-XMS-CASPT2 levels and supplementary two-dimensional heat-density maps (Fig. S2) characterising the motion reported in this communicatio

2016-10

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Atmospheric breakdown chemistry of the new “green” solvent 2,2,5,5-tetramethyloxolane via gas-phase reactions with OH and Cl radicals

Atmospheric chemistry and physics, 2022-11, Vol.22 (22), p.14589-14602

2022

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Biochemical comparison of plaque fluid on tooth and acrylic surfaces during a sucrose challenge

Archives of oral biology, 1996-07, Vol.41 (7), p.695-698

1996

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Plaque fluid pH, calcium and phosphorus responses to calcium food additives in a chewable candy

Archives of oral biology, 1989, Vol.34 (10), p.821-824

1989

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Micro-analytical Determination of pH, Calcium, and Phosphate in Plaque Fluid

Journal of dental research, 1985-11, Vol.64 (11), p.1275-1280

1985

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Formation of higher alcohols by wine yeasts, and relationship to taste thresholds

Journal of the science of food and agriculture, 1967-12, Vol.18 (12), p.583-589

Rankine, B. C.

1967

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Seasonal wireless sensor network link performance in boreal forest phenology monitoring

2014 Eleventh Annual IEEE International Conference on Sensing, Communication, and Networking (SECON), 2014, p.302-310

2014

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Orthodontic treatment in the mixed dentition for the general dentist

Current opinion in dentistry, 1992-12, Vol.2, p.14

Rankine, C A

1992

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Anticariogenic potential of a fluoride-releasing resin

LDA journal, 1990, Vol.49 (1), p.7

1990

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Decomposition of L-malic acid by wine yeasts

Journal of the science of food and agriculture, 1966-07, Vol.17 (7), p.312-316

Rankine, B. C.

1966

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Nature, origin and prevention of hydrogen sulphide aroma in wines

Journal of the science of food and agriculture, 1963-02, Vol.14 (2), p.79-91

Rankine, B. C.

1963

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Formation of α-ketoglutaric acid by wine yeasts and its oenological significance

Journal of the science of food and agriculture, 1968-11, Vol.19 (11), p.624-627

Rankine, B. C.

1968

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Influence of yeast strain and pH on pyruvic acid content of wines

Journal of the science of food and agriculture, 1967-02, Vol.18 (2), p.41-44

Rankine, B. C.

1967

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Reduction of caries and of demineralization around orthodontic brackets: Effect of a fluoride-releasing resin in the rat model

American journal of orthodontics and dentofacial orthopedics, 1994-12, Vol.106 (6), p.583-587

1994

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Hydrogen sulphide production by yeasts

Journal of the science of food and agriculture, 1964-12, Vol.15 (12), p.872-877

Rankine, B. C.

1964

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Progress in the Theory of X‑ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics

A Deep Neural Network for the Rapid Prediction of X‑ray Absorption Spectra

Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural network

The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics

A deep neural network for valence-to-core X-ray emission spectroscopy

Comparing MODIS and near-surface vegetation indexes for monitoring tropical dry forest phenology along a successional gradient using optical phenology towers

Photo-induced structural dynamics of o -nitrophenol by ultrafast electron diffraction

A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamics

On the analysis of X-ray absorption spectra for polyoxometallates

Photo-induced structural dynamics of -nitrophenol by ultrafast electron diffraction

Atmospheric breakdown chemistry of the new “green” solvent 2,2,5,5-tetramethyloxolane via gas-phase reactions with OH and Cl radicals

Biochemical comparison of plaque fluid on tooth and acrylic surfaces during a sucrose challenge

Plaque fluid pH, calcium and phosphorus responses to calcium food additives in a chewable candy

Micro-analytical Determination of pH, Calcium, and Phosphate in Plaque Fluid

Formation of higher alcohols by wine yeasts, and relationship to taste thresholds

Seasonal wireless sensor network link performance in boreal forest phenology monitoring

Orthodontic treatment in the mixed dentition for the general dentist

Anticariogenic potential of a fluoride-releasing resin

Decomposition of L-malic acid by wine yeasts

Nature, origin and prevention of hydrogen sulphide aroma in wines

Formation of α-ketoglutaric acid by wine yeasts and its oenological significance

Influence of yeast strain and pH on pyruvic acid content of wines

Reduction of caries and of demineralization around orthodontic brackets: Effect of a fluoride-releasing resin in the rat model

Hydrogen sulphide production by yeasts

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