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#
Author
Articles
Citations
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1
Shane R Yost
1
518
1
1
1
Christopher Cramer
1
518
5
2
1
Nicole Bellonzi
1
518
1
1
1
Daniel S Lambrecht
1
518
3
3
1
Yuezhi Mao
1
518
2
2
1
Abel Carreras
1
518
1
1
1
John A Parkhill
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518
1
1
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Pavel Pokhilko
1
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4
3
1
Tomasz A Wesolowski
1
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1
Thomas-C Jagau
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518
1
1
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Susi Lehtola
1
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2
1
1
Katherine J Oosterbaan
1
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1
1
1
Anna I Krylov
1
518
4
3
1
Andreas W Hauser
1
518
1
1
1
Shaama Mallikarjun Sharada
1
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3
2
1
James R Gayvert
1
518
1
1
1
Jeffrey B Neaton
1
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6
3
1
Mario Hernández Vera
1
518
1
1
1
Roberto Peverati
1
518
3
2
1
Sebastian Ehlert
1
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3
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1
Thomas Markovich
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1
1
1
Sahil Gulania
1
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2
2
1
Yu Zhang
1
518
2
2
1
Eric J Berquist
1
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2
2
1
Kevin Carter-Fenk
1
518
2
2
1
Jaehoon Kim
1
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1
1
1
Daniel S Levine
1
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2
2
1
YIhan Shao
1
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12
2
1
Dirk R Rehn
1
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2
1
1
Marc P Coons
1
518
1
1
1
Prashant Uday Manohar
1
518
1
1
1
Jonathan Thirman
1
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1
1
1
Qingguo Feng
1
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2
1
1
Wojciech Skomorowski
1
518
2
2
1
Kevin J Koh
1
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2
2
1
Lyudmila V Slipchenko
1
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3
3
1
Josefine H Andersen
1
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1
1
1
Kerwin Hui
1
518
1
1
1
Atsushi Yamada
1
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3
3
1
Alexandre Tkatchenko
1
518
4
3
1
Nicholas J Mayhall
1
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3
2
1
Yi-Pei Li
1
518
3
1
1
Hugh G A Burton
1
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3
2
1
Narbe Mardirossian
1
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1
John M Herbert
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2
2
1
Ádám Jász
1
518
1
1
1
Xing Zhang
1
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2
2
1
Arik Landau
1
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1
1
1
Hanjie Jiang
1
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2
2
1
Matthew B Goldey
1
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1
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1
Dennis Barton
1
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1
1
1
Alex J W Thom
1
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1
1
1
Alan E Rask
1
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2
2
1
Kuan-Yu Liu
1
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1
1
1
Gábor János Tornai
1
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1
1
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Alan D Chien
1
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1
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Ryan P Steele
1
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1
1
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David W Small
1
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1
1
1
Run R Li
1
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2
2
1
Evgeny Epifanovsky
1
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1
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Kaushik D Nanda
1
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2
2
1
Alexander A Kunitsa
1
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1
1
1
Matthias Loipersberger
1
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4
3
1
Fabijan Pavošević
1
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1
1
1
Sharon Hammes-Schiffer
1
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4
2
1
Ka Un Lao
1
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3
3
1
Jeng-Da Chai
1
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3
2
1
Triet S Nguyen
1
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1
1
1
Christian Ochsenfeld
1
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2
2
1
Martin Head-Gordon
1
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4
3
1
Alexander Zech
1
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2
2
1
Sonia Coriani
1
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7
5
1
Romit Chakraborty
1
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2
2
1
Jan-Michael Mewes
1
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1
1
1
Thomas R Furlani
1
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1
1
1
Jörg Kussmann
1
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1
1
1
Elliot C Rossomme
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2
2
1
Ksenia B Bravaya
1
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2
2
1
Bang Cong Huynh
1
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1
Andreas Klamt
1
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1
1
1
Michael Diedenhofen
1
518
1
1
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Alexis T Bell
1
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4
3
1
Andreas Dreuw
1
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3
2
1
WanZhen Liang
1
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3
2
1
Daniel Lefrancois
1
518
1
1
1
Srimukh Prasad Veccham
1
518
2
2
1
Maxim V Ivanov
1
518
3
3
1
Takashi Tsuchimochi
1
518
1
1
1
Shirin Faraji
1
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1
1
1
Adam Rettig
1
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2
2
1
Stefanie A Mewes
1
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1
1
1
Eloy Ramos-Cordoba
1
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2
1
1
Magnus W D Hanson-Heine
1
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2
2
1
Zsuzsanna Benda
1
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1
1
1
Jan Wenzel
1
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1
1
1
Jiashu Liang
1
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2
2
1
Barry D Dunietz
1
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3
3
1
Jonathon Witte
1
518
1
1
1
K Birgitta Whaley
1
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3
3
1
Chao-Ping Hsu
1
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3
3
1
Vitaly A Rassolov
2
519
1
1
1
Paul M Zimmerman
1
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3
2
1
Pierpaolo Morgante
1
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1
1
1
Alexander C Paul
1
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2
1
1
Donald G Truhlar
1
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5
2
1
Cristina Elizabeth González-Espinoza
1
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1
1
1
Saswata Dasgupta
1
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2
1
1
Alán Aspuru Guzik
1
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9
5
1
Anastasia O Gunina
1
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1
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Igor Ying Zhang
1
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3
2
1
Bhaskar Rana
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2
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1
Marcus D Liebenthal
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1
David Casanova
1
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4
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1
Sven Kähler
1
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1
1
1
Qinghui Ge
1
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Marc de Wergifosse
1
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Norman M Tubman
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Joonho Lee
1
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3
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Alec F White
1
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1
1
1
Shervin Fatehi
1
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Eric Jon Sundstrom
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Teresa Head-Gordon
1
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2
2
1
William Goddard
1
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9
4
1
Aleksandr V Marenich
1
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1
1
1
Michael F Herbst
1
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2
2
1
Zhen Tao
1
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1
1
1
Maximilian Scheurer
1
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2
2
1
Marta L Vidal
1
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3
3
1
Felix Plasser
1
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2
1
1
C William Mccurdy
1
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2
2
1
Nicholas A Besley
1
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2
2
1
Peter M W Gill
1
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1
1
1
A Eugene Deprince, Iii
1
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2
2
1
Keith Lawler
1
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6
2
1
Adrian L Dempwolff
1
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1
1
1
Maximilian F S J Menger
1
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1
1
1
Diptarka Hait
1
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2
2
1
Tim Kowalczyk
1
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2
1
1
István Ladjánszki
1
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1
1
1
Kun Yao
1
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1
1
1
Christopher J Stein
1
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2
2
1
Joseph E Subotnik
1
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2
2
1
Aaditya Manjanath
1
518
2
2
1
Ying Zhu
1
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1
1
1
Yousung Jung
1
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3
2
1
Robert A Distasio Jr
1
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2
2
1
Henry Lee Woodcock
1
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2
2
1
Tarek Scheele
1
518
1
1
1
Peter F Mclaughlin
1
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1
1
1
Manuel Hodecker
1
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1
1
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Ryan M Richard
1
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2
2
1
D Vale Cofer-Shabica
1
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1
1
1
Troy Van Voorhis
1
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2
2
1
Tim Stauch
1
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2
2
1
Jie Liu
1
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2
2
1
J Wayne Mullinax
1
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1
1
1
Garrette Paran
1
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1
1
1
Vishikh Athavale
1
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2
2
1
Kristina D Closser
1
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1
1
1
Xintian Feng
1
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2
2
1
William A Goddard
1
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5
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1
Zhi-Qiang You
1
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1
1
1
Yu-Chuan Su
1
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1
1
1
Caroline M Krauter
1
518
1
1
1
Oleg Vydrov
1
518
1
1
1
Gergely Gidofalvi
1
518
1
1
1
Leif D Jacobson
1
518
1
1
1
Stefan Prager
1
518
1
1
1
Adrian W Lange
1
518
1
1
1
Dmitry Zuev
1
518
1
1
175
Chuanbing Tang
7
245
1
1
175
Mitra S Ganewatta
2
114
1
1
175
Zhongkai Wang
1
111
3
2
178
Randy W Larsen
1
84
2
2
178
Jacob M Mayers
1
84
1
1
178
Gabrielle A Leith
10
251
1
1
178
Natalia B Shustova
11
320
1
1
182
Bernhard Rieger
1
69
3
2
182
Philip Stanley
1
69
2
2
182
Roland A Fischer
1
69
7
8
182
Angela Casini
1
69
7
2
182
Alexander Urstoeger
1
69
2
2
182
Julien Warnan
1
69
3
3
188
Yangju Lin
1
67
3
9
188
Tatiana B Kouznetsova
1
67
2
2
188
Stephen Craig
2
87
3
10
188
Yudi Zhang
1
67
2
2
188
Zi Wang
1
67
5
6
188
Ye Sha
2
87
2
1
188
Enhua Xu
1
67
1
1
195
Mark D Smith
19
130
1
1
195
Andrew B Greytak
9
125
1
1
195
Otega A Ejegbavwo
4
60
1
1
195
Shubham Pandey
4
60
3
3
195
Fiaz Ahmed
7
72
1
1
195
Simon R Phillpot
4
60
2
2
201
Aaron K Vannucci
7
110
1
1
202
Jing Pan
1
43
2
7
202
Jie Li
5
73
1
1
202
Chang Liu
1
43
3
3
202
Peisheng Xu
1
43
4
3
202
Xiaojun Wei
1
43
3
3
202
Xiaoqin Wang
1
43
3
3
208
Barry K Hurlburt
1
36
1
1
208
Susan D Richardson
6
78
1
1
208
Hannah K Liberatore
3
40
1
1
208
Maksymilian Chruszcz
7
56
1
1
208
Micheal J Plewa
1
36
3
7
208
Geoffrey A Mueller
1
36
1
1
208
Xiao Wei
1
36
5
2
208
María Teresa Villalba
1
36
2
2
208
Anna A Berseneva
6
83
1
1
208
Elizabeth D Wagner
1
36
1
1
208
Birgitta M Wöhrl
1
36
1
1
208
Joshua M Allen
1
36
1
1
208
Anna Pomés
1
36
1
2
208
Karin Hoffmann-Sommergruber
1
36
22
29
208
Fook Tim Chew
1
36
4
5
208
Juha Rouvinen
1
36
2
2
208
Heimo Breiteneder
1
36
4
16
208
Michael J Plewa
2
38
1
1
226
Caryn E Outten
1
30
1
1
227
H Frederik Nijhout
1
26
3
3
227
Hans Conrad Zur Loye
21
106
1
1
227
Kristen A Pace
6
46
1
1
227
Parastoo Hashemi
5
70
1
2
227
Michael C Reed
1
26
3
3
227
Vladislav V Klepov
10
71
1
1
227
Randy D Blakely
1
26
1
2
227
Janet Best
1
26
1
1
227
Melinda Hersey
3
58
1
1
227
Srimal Samaranayake
1
26
1
1
237
Morgan M Stefik
5
59
1
1
237
Wessel van den Bergh
3
29
1
2
237
Stefan Guldin
2
24
2
3
237
Barry Reid
2
24
1
1
237
Morgan Stefik
4
46
1
2
242
Stephanie S Lau
1
23
1
1
242
Mario Gauthier
1
23
2
2
242
Michel Cloitre
1
23
1
1
242
Daniele Parisi
1
23
3
4
242
William A Mitch
1
23
3
4
242
Michael Rubinstein
2
43
3
6
242
Sanat K Kumar
4
66
2
3
242
Dimitris Vlassopoulos
1
23
5
4
242
Eileen Buenning
1
23
1
1
242
Brian C Benicewicz
5
82
1
1
242
Nikolaos Kalafatakis
1
23
2
2
253
Jittima Amie Luckanagul
1
22
1
1
253
Pahweenvaj Ratnatilaka Na Bhuket
1
22
2
2
253
Hui Wang
3
44
1
1
253
Charles B Musgrave Iii
1
22
4
5
253
Pranee Rojsitthisak
1
22
1
1
253
Chawanphat Muangnoi
1
22
2
2
253
Christopher Sutton
1
22
1
1
253
Pornchai Rojsitthisak
1
22
3
3
253
Nicholas R Singstock
1
22
1
1
253
Jesús M Velázquez
1
22
1
1
253
Kexun Chen
2
34
1
1
253
Jessica Ortiz Rodriguez
1
22
1
1
253
Joseph T Perryman
1
22
1
1
267
Hao Bo
4
42
1
1
267
Liqing Fan
4
42
1
1
267
Wen-Bing Zhu
3
40
1
1
267
Yue-Qiu Tan
2
32
1
1
267
Gang Liu
2
32
2
2
267
Fang Zhu
4
42
1
1
273
Jihyeon Hwang
1
20
1
1
273
Tianyu Zhu
3
31
1
1
273
Claudia A Grillo
1
20
1
1
273
Gary S Grest
2
21
2
1
273
Jiuling Wang
3
35
1
1
273
Thomas C. O'Connor
1
20
1
1
273
Ting Ge
4
36
1
1
280
Reilly T Enos
1
18
2
2
280
Daping Fan
2
21
4
4
280
E Angela Murphy
1
18
2
2
280
Mitzi Nagarkatti
6
63
2
3
284
Alejandro J Müller
1
17
8
9
284
Andrew Jimenez
1
17
2
2
284
Abdullah S Altorbaq
1
17
2
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284
Julia G Pribyl
1
17
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288
Alan W Decho
2
23
2
1
288
Amjed Alabresm
1
16
1
1
288
Ying Zhang
1
16
3
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288
Savannah L Chandler
1
16
1
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288
Zhiguang Niu
1
16
3
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293
H-P Liermann
1
14
3
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Lars Ehm
1
14
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J H Eggert
1
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Mungo Frost
1
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1
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Kamlesh Bornani
1
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Elena A Bykova
1
14
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Guillaume Fiquet
1
14
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Nenad Velisavljevic
1
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Richard Rosas
1
14
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Timothy J Shaw
1
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Leora Dresselhaus-Cooper
1
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George W Luther Iii
1
14
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John L Ferry
1
14
1
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Max Wilke
1
14
1
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Yongjae Lee
1
14
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James D Mchardy
1
14
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Choong-Shik Yoo
1
14
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Karen Appel
1
14
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Jeffrey S Pigott
1
14
1
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Ulf Zastrau
1
14
4
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Ryan Stewart McWilliams
1
14
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Nicole R Coffey
1
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Guillaume Morard
1
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Thomas Vogt
1
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Konstantin Glazyrin
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Amy Coleman
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Linda S Schadler
1
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Alexander F Goncharov
1
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Md Anisur Rahman
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Edward J Pace
1
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Mustafa YÜcel
1
14
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Julien Chantel
1
14
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Véronique E Oldham
1
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Huijeong Hwang
1
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E E Mcbride
1
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Clemens Prescher
1
14
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Charles Pépin
1
14
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Maxim Bykov
1
14
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Kathryn Miranda
2
26
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Aubin Thibault de Chanvalon
1
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Hauke Marquardt
1
14
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Jaeyong Kim
1
14
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Prakash S Nagarkatti
4
38
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Sébastien Merkel
1
14
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Malcolm I Mcmahon
1
14
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Hyunchae Cynn
1
14
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Jona Mainberger
1
14
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341
Gregory Scott
5
35
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William E Mustain
1
13
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Lei Wang
1
13
2
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Hai-yan Tian
1
13
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Xiao-Qi Zhang
1
13
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Dmitry V Peryshkov
4
26
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Zhuo Shang
3
25
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Jacob M Lamanna
1
13
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Eric R Williams
2
23
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Jun-shan Liu
1
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Md Mamdudur Rahman
1
13
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H D A Chathumal Jayaweera
2
13
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Yiwei Zheng
1
13
1
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Noor Ul Hassan
1
13
3
3
355
Ashley Allen
1
12
1
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Stuart Calder
2
17
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3
355
Melanie J Kirkham
1
12
2
2
355
Kiesha Wilson
1
12
2
3
355
William Becker
1
12
1
1
355
J Chance Carter
2
17
1
1
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Gregory Morrison
9
34
1
1
355
S Michael Angel
3
19
1
1
355
Yucheng Huang
1
12
1
1
355
Justin B Felder
1
12
1
1
355
Jia-Fu Li
1
12
1
1
355
Guoshuai Cai
1
12
5
10
355
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2
17
1
1
355
Qingfeng Zhang
1
12
1
4
355
Philip B Busbee
1
12
3
3
355
Qiang Zhang
1
12
3
8
355
Mayank Jhalaria
1
12
1
1
355
Nagireddy Putluri
1
12
6
11
355
Vasanta Putluri
1
12
1
1
355
Jordan Holmes
1
12
1
1
375
Sakiru L Abiodun
2
17
1
1
376
Scott R Goode
4
19
1
1
376
Mark Allendorf
1
10
1
4
376
Frankie Wood-Black
2
10
2
1
376
Deependra M Shakya
1
10
1
1
376
Graeme A Henkelman
1
10
1
11
376
Song Guo
1
10
2
2
376
Wenrui Chai
1
10
1
1
376
Jane E Wissinger
2
10
2
2
376
Sumit Beniwal
1
10
1
1
376
Vitalie Stavila
1
10
1
7
376
Xiaoqi Fu
1
10
2
5
376
Donna A Chen
1
10
1
1
376
Jonathan L Snider
1
10
1
2
389
Ishwor Karki
2
17
1
1
389
Yvonne Hui
1
9
1
1
389
Ping Li
1
9
1
1
389
Ken D Shimizu
2
17
1
1
389
Weipeng Zhang
1
9
5
5
389
Kevin Huang, Keqin Huang
1
9
2
10
389
Traci L Testerman
1
9
1
1
389
Xiaoyu Tang
1
9
1
1
389
Douglas Sweeney
1
9
2
16
389
Erik C Vik
1
9
1
1
389
Alexander B Chase
1
9
3
19
389
Paul R Jensen
1
9
2
16
389
Ceren Kütahyali Aslani
2
11
1
1
402
Linda S Shimizu
5
18
1
1
402
Muhammad saddam Hossain
4
24
1
1
402
Anna D Gudmundsdottir
2
13
2
2
402
Han Zhang
1
8
1
2
402
Sophya Garashchuk
5
24
1
1
407
Kenneth G Hanson
1
7
5
8
407
Yuanyuan Luo
1
7
1
1
407
Xiaoming Yang
1
7
7
7
407
Taylor Larison
1
7
1
1
407
Maria Antonietta Ciardiello
2
11
1
1
407
Peng Yang
1
7
1
14
407
Claudia Alessandri
1
7
1
1
407
Marpe Bam
1
7
3
3
407
Maurizio Tamburrini
1
7
1
1
407
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2
11
1
1
418
M V S Chandrashekhar
3
8
1
2
418
Duckjong Kim
1
6
1
2
418
Vojislava Grbic
1
6
1
1
418
Dong-Chan Lee
1
6
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Taewan Kim
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Megan Smart
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Faisal M Alamgir
1
6
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Shawn Alan Gregory
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6
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Tiffany M Smith Pellizzeri
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1
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Joseph W Kolis
1
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Gyanendra B Ayer
2
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Mathew L Kelley
4
14
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418
Colin D Mcmillen
1
6
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6
418
Mohammad Usman
3
13
1
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418
Mark D Losego
1
6
3
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Sohee Jeong
1
6
1
3
418
Luís Fernando Saraiva Macedo Timmers
1
6
1
3
418
Raul A Sperotto
1
6
1
1
437
Theodore M Besmann
1
5
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1
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David Parker
1
5
3
3
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Mark Owen Robbins
1
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2
2
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Brandon J Yarbrough
1
5
1
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Thanh D Do
1
5
2
4
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Vancho Kocevski
1
5
1
4
437
Allison M Rice
1
5
1
1
437
Stavros G Karakalos
1
5
8
15
437
Poonam Dhull
1
5
1
1
437
Athena S Sefat
1
5
2
5
437
Morgan Lundy
1
5
1
2
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Mary H Upton
1
5
1
11
437
Amir Karami
1
5
3
8
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Jonathan D Tedder
2
5
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1
5
2
2
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Frank Webb
1
5
1
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Matthew S Christian
1
5
1
1
437
Md Faizul Islam
1
5
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Meenal Kaushal
1
5
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Swanandi Pote
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John H Dunlap
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Krzysztof Kowal
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Qian Wang
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Perry J Pellechia
1
4
1
1
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Yingwu Yin
2
5
1
1
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Navindra Keerthisinghe
1
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1
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2
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1
465
Laura A Murdock
1
3
1
1
465
Ming Du
1
3
19
50
465
Noah Hyduke
1
3
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465
Jochen A Lauterbach
1
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Anyway Brenda Kapingidza
1
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Luiz G Jacobsohn
1
3
2
3
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Michael A Devore Ii
1
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1
1
465
Tim S Bugni
1
3
3
24
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Matthew S Wellons
1
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Coleman Dolamore
1
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Cristina Postigo
1
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Lingjun Li
1
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18
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Robert Darling
1
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Scott T Misture
1
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Shiv Halasyamani
1
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Travis Williams
1
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Brenna Parke
1
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1
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465
Nasrollah Hamidi
2
5
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1
483
Nana Osei B Ackerson
1
2
1
1
483
Steven A Corcelli
1
2
2
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483
David M Demarini
1
2
1
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Harveen Kaur
1
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Thomas A Ternes
1
2
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James Wanliss
1
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Sarah H Warren
1
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1
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Mark A Berg
3
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Weston J Smith
1
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Jake G Tillou
1
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1
1
494
Stephen L Morgan
3
1
1
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Sheryl L Wiskur
1
1
1
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K Michael Salerno
1
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2
494
Nilmini H Ratnasena
3
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494
Michael L Myrick
1
1
1
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Dvora Perahia
1
1
2
2
494
Franklin Outten
1
1
1
1
494
Heather Brooke
1
1
1
1
502
Kamal Hussain
1
0
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502
Nathan C Fuenffinger
1
0
1
0
502
Michael B Blayney
1
0
3
5
502
Tomasz Borowski
1
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1
9
502
Asif Khan
1
0
2
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Alexander Wlodawer
1
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14
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Alexey A Popov
1
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13
502
Humaiara Akter
1
0
1
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Zbigniew Dauter
1
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3
3
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Brianna M Cassidy
1
0
1
0
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Mariusz Jaskolski
1
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Benjamin Williams
1
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Ivan G Shabalin
1
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11
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Marc Reid
1
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Grigory Simin
1
0
1
2
502
Jason C Hurlbert
1
0
1
0
502
Jiaqi Li
1
0
1
2
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