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1

Delft molecular mechanics: a new approach to hydrocarbon force fields. Inclusion of a geometry-dependent charge calculation

van Duin, Adri C. T., Baas, Jan M. A., van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1994

Language:

english

File:

PDF, 1.61 MB

english, 1994

2

Automated processing of GC/MS data: quantification of the signals of individual components

Pool, Wim G., Maas, Leo R. M., de Leeuw, Jan W., van de Graaf, Bastiaan

Journal:

Journal of Mass Spectrometry

Year:

1997

Language:

english

File:

PDF, 258 KB

english, 1997

3

A rapid routine to correct for skewing in gas chromatography/mass spectrometry

Pool, Wim G., de Leeuw, Jan W., van de Graaf, Bastiaan

Journal:

Journal of Mass Spectrometry

Year:

1996

Language:

english

File:

PDF, 201 KB

english, 1996

4

Backfolding Applied to Differential Gas Chromatography/Mass Spectrometry as a Mathematical Enhancement of Chromatographic Resolution§

Pool, Wim G., de Leeuw, Jan W., Graaf, Bastiaan van de

Journal:

Journal of Mass Spectrometry

Year:

1996

Language:

english

File:

PDF, 539 KB

english, 1996

5

Automated Extraction of Pure Mass Spectra from Gas Chromatographic/Mass Spectrometric Data†

Pool, Wim G., de Leeuw, Jan W., van de Graaf, Bastiaan

Journal:

Journal of Mass Spectrometry

Year:

1997

Language:

english

File:

PDF, 347 KB

english, 1997

6

ChemInform Abstract: Introduction to Zeolite Modeling

Bastiaan Van de Graaf, Swie Lan Njo, Konstantin S. Smirnov

Journal:

Year:

2000

File:

PDF, 23 KB

2000

7

Simulation of GC-MS data: A tool to optimize data analysis and instrumental parameters

Wim G. Pool, Jan W. de Leeuw, Bastiaan van de Graaf

Journal:

Computers & Chemistry

Year:

1992

Language:

english

File:

PDF, 588 KB

english, 1992

8

Simplification and acceleration of crystal energy calculations under constant pressure

Bastiaan van de Graaf, Erik de vos Burchart

Journal:

Computers & Chemistry

Year:

1993

Language:

english

File:

PDF, 109 KB

english, 1993

9

In vivo 13C magnetic resonance spectroscopy of a human brain tumor after application of 13C-1-enriched glucose

Jannie P. Wijnen, Marinette Van der Graaf, Tom W.J. Scheenen, Dennis W.J. Klomp, Bastiaan E. de Galan, Albert J.S. Idema, Arend Heerschap

Journal:

Magnetic Resonance Imaging

Year:

2010

Language:

english

File:

PDF, 712 KB

english, 2010

10

On the origin of the band at 960 cm−1 in the vibrational spectra of Ti-substituted zeolites

Konstantin S. Smirnov, Bastiaan van de Graaf

Journal:

Microporous Materials

Year:

1996

Language:

english

File:

PDF, 407 KB

english, 1996

11

Optimized [1-13C]glucose infusion protocol for 13C magnetic resonance spectroscopy at 3 T of human brain glucose metabolism under euglycemic and hypoglycemic conditions

Kim C.C. van de Ven, Marinette van der Graaf, Cees J.J. Tack, Dennis W.J. Klomp, Arend Heerschap, Bastiaan E. de Galan

Journal:

Journal of Neuroscience Methods

Year:

2010

Language:

english

File:

PDF, 387 KB

english, 2010

12

Molecular mechanics studies of TBA and TPA in MEL and MFI

Erik de Vos Burchart, Henk van Koningsveld, Bastiaan van de Graaf

Journal:

Microporous Materials

Year:

1997

Language:

english

File:

PDF, 662 KB

english, 1997

13

Molecular mechanics calculations on the N,N-diethyl-3,5-dimethylpiperidinium ions in MEL and MFI

Swie Lan Njo, Jan Henk Koegler, Henk van Koningsveld, Bastiaan van de Graaf

Journal:

Microporous Materials

Year:

1997

Language:

english

File:

PDF, 531 KB

english, 1997

14

Extending and simplifying the electronegativity equalization method

Swie Lan Njo, Jianfen Fan, Bastiaan van de Graaf

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

1998

Language:

english

File:

PDF, 179 KB

english, 1998

15

MM2 calculation of the chair-boat equilibrium of 1,6-anhydro-β-d-glucopyranose

Adrie J.J. Straathof, Anton van Estrik, Antonius P.G. Kieboom, Jan M.A. Baas, Bastiaan van de Graaf

Journal:

Carbohydrate Research

Year:

1989

Language:

english

File:

PDF, 261 KB

english, 1989

16

A consistent molecular mechanics force field for aluminophosphates

Vogt, Eelco T. C., de Vos Burchart, Erik, van Bekkum, Herman, van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1992

Language:

english

File:

PDF, 1006 KB

english, 1992

17

Quantitative first-pass perfusion MRI of the mouse myocardium

Bastiaan J. van Nierop, Bram F. Coolen, Wouter J.R. Dijk, Arjan D. Hendriks, Larry de Graaf, Klaas Nicolay, Gustav J. Strijkers

Journal:

Magnetic Resonance in Medicine

Year:

2012

Language:

english

File:

PDF, 710 KB

english, 2012

18

A kinetic calculation method of homohopanoid maturation: Applications in the reconstruction of burial histories of sedimentary basins

Adri C.T. van Duin, Jaap S. Sinninghe Damsté, Martin P. Kodpmans, Bastiaan van de Graaf, Jan W. de Leeuw

Journal:

Geochimica et Cosmochimica Acta

Year:

1997

Language:

english

File:

PDF, 1.59 MB

english, 1997

19

Comparison of calculated equilibrium mixtures of alkylnaphthalenes and alkylphenanthrenes with experimental and sedimentary data; the importance of entropy calculations

Adri C.T. van Duin, Jan M.A. Baas, Bastiaan van de Graaf, Jan W. de Leeuw, Trevor P. Bastow, Robert Alexander

Journal:

Organic Geochemistry

Year:

1997

Language:

english

File:

PDF, 447 KB

english, 1997

20

Empirical force field calculations. 10. Conformational analysis of cis-decalin

Baas, Jan M. A., Van de Graaf, Bastiaan, Tavernier, Dirk, Vanhee, Paul

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 910 KB

english, 1981

21

Consistent implementation of the electronegativity equalization method in molecular mechanics and molecular dynamics

Smirnov, Konstantin S., van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 798 KB

english, 1996

22

Empirical force field calculations. 20. Routes in the inversion of cis-transoid-cis- and of cis-cisoid-cis-perhydroanthracene

Vanhee, Paul, Van de Graaf, Bastiaan, Tavernier, Dirk, Baas, Jan M. A.

Journal:

Journal of Organic Chemistry

Year:

1983

Language:

english

File:

PDF, 617 KB

english, 1983

23

Structure and formation of gaseous C2H5S+ ions

Van de Graaf, Bastiaan, McLafferty, F. W.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 680 KB

english, 1977

24

A Combination of the Monte Carlo Method and Molecular Mechanics Calculations: A Novel Way To Study the Ti(IV) Distribution in Titanium Silicalite-1 †

Njo, Swie Lan, van Koningsveld, Henk, van de Graaf, Bastiaan

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 115 KB

english, 1997

25

Structure and formation of stable C3H7S+ ions

Van de Graaf, Bastiaan, McLafferty, F. W.

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 702 KB

english, 1977

26

Detection of stable cyclic C2H5O+ and C2H5S+ ions by collisional activation spectroscopy

van de Graaf, Bastiaan, Dymerski, Paul P., Mclafferty, Fred W.

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1975

Language:

english

File:

PDF, 158 KB

english, 1975

27

A computational study on zeolite MCM-22

Njo, Swie Lan, van Koningsveld, Henk, van de Graaf, Bastiaan

Journal:

Chemical Communications

Year:

1997

Language:

english

File:

PDF, 156 KB

english, 1997

28

Molecular mechanics study on the ?-quartz/?-quartz transition

de Vos Burchart, Erik, van Bekkum, Herman, van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1992

Language:

english

File:

PDF, 523 KB

english, 1992

29

Molecular mechanics force field for tertiary carbocations

van Duin, Adri C. T., Baas, Jan M. A., van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 1.14 MB

english, 1996

30

Study of methane adsorption in MFI and MEL zeolites by combination of the electronegativity equalization method and molecular dynamics

Smirnov, Konstantin S., van de Graaf, Bastiaan

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 1.00 MB

english, 1996

31

PS1 - 3. The relationship between plasma and brain glucose levels under hypoglycemic conditions in humans

van de Ven, Kim C.C., van der Graaf, Marinette, Tack, Cees J.J., Heerschap, Arend, de Galan, Bastiaan E.

Journal:

Nederlands Tijdschrift voor Diabetologie

Year:

2011

Language:

english

File:

PDF, 213 KB

english, 2011

32

Brain glucose metabolism during hypoglycemia in type 1 diabetes: insights from functional and metabolic neuroimaging studies

Rooijackers, Hanne M. M., Wiegers, Evita C., Tack, Cees J., van der Graaf, Marinette, de Galan, Bastiaan E.

Journal:

Cellular and Molecular Life Sciences

Year:

2016

Language:

english

File:

PDF, 909 KB

english, 2016

33

Brain lactate concentration falls in response to hypoglycemia in patients with type 1 diabetes and impaired awareness of hypoglycemia

Wiegers, Evita C., Rooijackers, Hanne M., Tack, Cees J., Heerschap, Arend, de Galan, Bastiaan E., van der Graaf, Marinette

Journal:

Year:

2016

Language:

english

File:

PDF, 658 KB

english, 2016

34

Empirical force field calculations. 27. A study on the conformations of the simple vicinal diols

Van Duin, Martin, Baas, Jan M. A., Van de Graaf, Bastiaan

Journal:

Journal of Organic Chemistry

Year:

1986

Language:

english

File:

PDF, 630 KB

english, 1986

35

Cerebral blood flow response to hypoglycemia is altered in patients with type 1 diabetes and impaired awareness of hypoglycemia

Wiegers, Evita C, Becker, Kirsten M, Rooijackers, Hanne M, von Samson-Himmelstjerna, Federico C, Tack, Cees J, Heerschap, Arend, de Galan, Bastiaan E, van der Graaf, Marinette

Journal:

Journal of Cerebral Blood Flow and Metabolism

Year:

2016

Language:

english

File:

PDF, 646 KB

english, 2016

36

Molecular Mechanics Studies on MFI Type Zeolites. 1. Effect of p-Xylene Adsorption on the Zeolite Structure

Vos Burchart, Erik de, Linden, Bert van der, Bekkum, Herman van, Graaf, Bastiaan van de

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1992

Language:

english

File:

PDF, 290 KB

english, 1992

37

A Single Bout of High-Intensity Interval Training Reduces Awareness of Subsequent Hypoglycemia in Patients with Type 1 Diabetes

Rooijackers, Hanne M., Wiegers, Evita C., van der Graaf, Marinette, Thijssen, Dick H, Kessels, Roy P.C., Tack, Cees J., de Galan, Bastiaan E.

Journal:

Year:

2017

Language:

english

File:

PDF, 838 KB

english, 2017

38

Effect of Exercise-Induced Lactate Elevation on Brain Lactate Levels During Hypoglycemia in Patients with Type 1 Diabetes and Impaired Awareness of Hypoglycemia

Wiegers, Evita C., Rooijackers, Hanne M., Tack, Cees J., Groenewoud, Hans J.M.M., Heerschap, Arend, de Galan, Bastiaan E., van der Graaf, Marinette

Journal:

Year:

2017

Language:

english

File:

PDF, 699 KB

english, 2017

39

Effect of lactate administration on brain lactate levels during hypoglycemia in patients with type 1 diabetes

Wiegers, Evita C, Rooijackers, Hanne M, Tack, Cees J, Philips, Bart WJ, Heerschap, Arend, van der Graaf, Marinette, de Galan, Bastiaan E

Journal:

Journal of Cerebral Blood Flow and Metabolism

Year:

2018

Language:

english

File:

PDF, 567 KB

english, 2018

40

Assessment of Myocardial Fibrosis in Mice Using a T2*-Weighted 3D Radial Magnetic Resonance Imaging Sequence

van Nierop, Bastiaan J., Bax, Noortje A. M., Nelissen, Jules L., Arslan, Fatih, Motaal, Abdallah G., de Graaf, Larry, Zwanenburg, Jaco J. M., Luijten, Peter R., Nicolay, Klaas, Strijkers, Gustav J., L

Journal:

Year:

2015

Language:

english

File:

PDF, 2.65 MB

english, 2015

41

Elevated brain glutamate levels in type 1 diabetes: correlations with glycaemic control and age of disease onset but not with hypoglycaemia awareness status

Wiegers, Evita C., Rooijackers, Hanne M., van Asten, Jack J.A., Tack, Cees J., Heerschap, Arend, de Galan, Bastiaan E., van der Graaf, Marinette

Journal:

Year:

2019

Language:

english

File:

PDF, 852 KB

english, 2019

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