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›
Authors
›
Henry F Schaefer
›
top-authors
Henry F Schaefer
University of Georgia
1.0K
(top 0.1%)
papers
54.8K
(top 0.1%)
citations
105
(top 0.1%)
h
-index
199
(top 0.1%)
g
-index
1.0K
all documents
56.1K
doc citations
1.4K
citing journals
105
times ranked
Top Authors (by citations)
#
Author
Articles
Citations
R ARank
R CRank
2
C David Sherrill
29
8,821
2
2
3
Wesley D Allen
61
6,626
1
1
4
Shawn T Brown
13
5,611
6
1
5
Henry Lee Woodcock
7
5,505
8
33
7
Andrew C Simmonett
25
5,419
1
1
8
Peter M W Gill
3
5,348
24
25
9
Christian Ochsenfeld
3
5,175
35
25
10
Sergey V Levchenko
2
5,158
16
4
10
Anna I Krylov
2
5,158
93
27
10
YIhan Shao
2
5,158
101
31
10
Lyudmila V Slipchenko
2
5,158
45
26
10
Jing Kong
2
5,158
3
2
10
John M Herbert
2
5,158
37
22
10
Gregory J O Beran
2
5,158
32
6
10
Young Min Rhee
2
5,158
25
8
10
Ryan P Steele
2
5,158
26
23
10
Martin Head-Gordon
3
5,158
94
32
10
Thomas R Furlani
2
5,158
25
25
10
Jörg Kussmann
2
5,158
23
22
10
Alexis T Bell
2
5,158
113
23
10
WanZhen Liang
2
5,158
33
22
10
Barry D Dunietz
2
5,158
50
22
10
Chao-Ping Hsu
2
5,158
52
25
10
Vitaly A Rassolov
2
5,158
40
26
10
Rustam Z Khaliullin
2
5,158
11
4
10
Edina Rosta
2
5,158
39
4
10
Daniel M Chipman
2
5,158
7
2
10
Nicholas A Besley
2
5,158
55
25
10
Joseph E Subotnik
2
5,158
47
23
10
Yousung Jung
2
5,158
95
26
10
Robert A Distasio Jr
2
5,158
47
24
10
Steven Gwaltney
2
5,158
25
14
10
Troy Van Voorhis
2
5,158
72
25
10
Anthony D Dutoi
2
5,158
5
4
38
Edward G Hohenstein
5
4,974
7
2
39
Rollin A King
6
4,921
2
2
40
Gustavo E Scuseria
16
4,240
77
6
41
T Daniel Crawford
21
3,567
1
1
42
Ryan M Richard
2
3,522
11
3
43
Francesco A Evangelista
13
3,225
2
1
44
Bernard R Brooks
4
3,144
23
2
45
Justin M Turney
56
3,121
1
1
46
Eric J Berquist
2
2,667
4
74
47
Yaoming Xie
123
2,635
1
1
48
Aaron M Lee
1
2,597
47
15
48
Robert J Doerksen
1
2,597
48
1
48
Frerich J Keil
1
2,597
17
4
48
Andreas Heyden
1
2,597
54
4
48
Edward F C Byrd
1
2,597
37
15
48
Baron Peters
1
2,597
54
4
54
Mark S Gordon
2
2,576
53
16
54
Mark Gordon
2
2,576
36
11
56
Shane R Yost
1
2,561
78
75
56
Christopher Cramer
1
2,561
274
81
56
Daniel S Lambrecht
1
2,561
90
75
56
John A Parkhill
1
2,561
84
75
56
Thomas-C Jagau
1
2,561
87
74
56
Andreas W Hauser
1
2,561
101
74
56
Shaama Mallikarjun Sharada
1
2,561
91
74
56
Roberto Peverati
1
2,561
86
75
56
Arieh Warshel
1
2,561
54
16
56
Roi Baer
1
2,561
34
9
56
Jaehoon Kim
1
2,561
79
74
56
Jun Yang
1
2,561
22
4
56
Dirk R Rehn
1
2,561
88
75
56
Adèle D Laurent
1
2,561
54
3
56
Prashant Uday Manohar
1
2,561
75
74
56
Yan Zhao
1
2,561
72
5
56
Nicholas J Mayhall
1
2,561
86
74
56
Narbe Mardirossian
1
2,561
80
74
56
Xing Zhang
1
2,561
79
75
56
Arik Landau
1
2,561
85
74
56
Matthew B Goldey
1
2,561
82
75
56
David W Small
1
2,561
84
74
56
Evgeny Epifanovsky
1
2,561
81
74
56
Ka Un Lao
1
2,561
85
74
56
Jeng-Da Chai
1
2,561
89
75
56
Eric Neuscamman
1
2,561
25
2
56
Ksenia B Bravaya
1
2,561
87
74
56
Xin Xu
1
2,561
71
5
56
Andreas Klamt
1
2,561
87
74
56
Michael Diedenhofen
1
2,561
75
74
56
Roberto Olivares-Amaya
1
2,561
14
7
56
Takashi Tsuchimochi
1
2,561
77
74
56
Magnus W D Hanson-Heine
1
2,561
87
74
56
Deborah L Crittenden
1
2,561
13
3
56
Jan Wenzel
1
2,561
80
74
56
Leslie Vogt
1
2,561
43
7
56
Kai Brandhorst
1
2,561
10
3
56
Paul M Zimmerman
1
2,561
145
74
56
Donald G Truhlar
1
2,561
370
88
56
Alán Aspuru Guzik
1
2,561
311
90
56
Igor Ying Zhang
1
2,561
94
76
56
David Casanova
1
2,561
171
77
56
Alec F White
1
2,561
89
76
56
Shervin Fatehi
1
2,561
78
74
56
Eric Jon Sundstrom
1
2,561
75
74
56
An Ghysels
1
2,561
21
5
56
William Goddard
1
2,561
391
87
56
Aleksandr V Marenich
1
2,561
74
75
56
Jing Kong
1
2,561
250
15
56
Debashree Ghosh
1
2,561
22
7
56
Keith Lawler
1
2,561
104
75
56
Tim Kowalczyk
1
2,561
86
75
56
Tamar Stein
1
2,561
18
4
56
Florian Häse
1
2,561
76
10
56
Kristina D Closser
1
2,561
76
74
56
Xintian Feng
1
2,561
87
74
56
William A Goddard
1
2,561
316
89
56
Zhi-Qiang You
1
2,561
76
74
56
Yu-Chuan Su
1
2,561
74
74
56
Caroline M Krauter
1
2,561
85
74
56
Oleg Vydrov
1
2,561
74
74
56
Joerg Kussmann
1
2,561
1
1
56
Ben Albrecht
1
2,561
1
1
56
Ester Livshits
1
2,561
5
2
56
Leif D Jacobson
1
2,561
74
74
56
Adrian W Lange
1
2,561
74
74
56
Dmitry Zuev
1
2,561
74
74
127
Edward F Valeev
14
2,439
1
2
128
Robert M Parrish
4
2,413
4
4
129
Lori A Burns
5
2,360
4
5
130
R Bruce King
116
2,288
1
1
131
Jonathan C Rienstra-Kiracofe
11
2,178
1
1
132
Timothy J Lee
24
2,134
5
3
133
Gregory H Robinson
30
2,005
3
2
134
Yu-Zhong Wang
27
1,951
3
2
135
Gregory S Tschumper
11
1,783
3
1
136
Attila G Császár
13
1,688
11
29
137
Uğur Bozkaya
7
1,624
3
2
138
Alexander Yu Sokolov
15
1,595
1
1
139
Daniel G A Smith
5
1,573
4
5
140
A Eugene Deprince, Iii
4
1,521
6
3
141
Andrew M James
3
1,507
1
1
141
Ashutosh Kumar
3
1,507
19
5
141
Ashutosh Kumar
3
1,507
4
3
141
Konrad Patkowski
3
1,507
10
4
145
Roberto Di Remigio
3
1,416
3
4
146
Benjamin P Pritchard
2
1,401
5
4
147
Julia E Rice
7
1,101
5
3
148
Xiao Wang
9
1,076
1
3
149
Xiao Wang
2
972
43
53
150
Masaaki Saitow
1
961
15
2
150
Jérôme F Gonthier
1
961
10
3
152
Allen Clabo
6
911
1
1
153
Paul Saxe
7
775
1
2
154
Jay Agarwal
20
726
1
1
155
Pingrong Wei
24
680
3
3
156
Janet E Del Bene
1
666
39
6
157
Jeffrey B Schriber
3
561
5
5
157
Asem A Alenaizan
3
561
3
4
159
Dominic A Sirianni
2
546
6
6
159
Jonathan M Waldrop
2
546
2
2
162
Peter Schreiner
10
541
16
13
163
Boris Galabov
17
538
2
2
164
Paul S Bagus
4
526
25
14
165
Leo Radom
6
524
16
13
166
Jonathon P Misiewicz
8
521
1
1
167
Ralf I Kaiser
9
497
34
15
168
William D Laidig
8
476
1
3
169
Holger Kruse
2
455
13
7
169
Peter Kraus
2
455
7
1
169
Maximilian Scheurer
2
455
14
175
169
Zachary L Glick
2
455
2
2
173
Susi Lehtola
1
440
31
175
173
Raimondas Galvelis
1
440
8
1
173
Joseph Senan O'Brien
1
440
1
1
173
Robert A Shaw
1
440
6
1
173
Yi Xie
1
440
3
3
178
Michael S Schuurman
4
438
10
3
179
Holger F Bettinger
9
397
2
1
180
William H Miller
3
392
15
14
182
Steven E Wheeler
11
320
2
8
183
Andrew B Bocarsly
3
318
12
21
184
Jonathon E Vandezande
7
308
1
1
185
Roger D Amos
2
300
8
10
186
Milan Hodošček
2
290
7
3
187
Brian J Smith
2
276
68
52
188
Martin Quack
2
269
19
11
188
Gyorgy Tarczay
2
269
22
6
190
Megha Anand
4
255
3
4
191
Alexey Timoshkin
6
247
9
5
192
Raghavan B Sunoj
3
240
25
17
193
Igor S Ignatyev
6
238
6
2
194
Buyong
5
235
11
48
195
Kwang S Kim
7
233
30
111
196
Boyi Zhang
8
231
1
1
197
Nadia Balucani
3
224
58
45
198
Trygve Helgaker
1
222
106
66
198
Henrik Koch
1
222
64
66
198
Hans Jørgen Aagaard Jensen
1
222
50
68
201
Charles Machan
3
221
10
9
201
Clifford P Kubiak
3
221
19
31
203
Partha P Bera
5
216
5
4
204
Adam S Abbott
8
215
1
1
205
Tucker Carrington
3
213
11
12
206
Guoliang Li
15
206
1
1
206
William C Swope
4
206
5
14
208
Sunghwan Kim
8
205
3
32
209
George Fitzgerald
5
191
2
5
210
Peter R Schreiner
1
177
89
29
211
Suyong Re
1
176
32
5
212
Biao Wu
3
171
18
11
212
Xiao-Juan Yang
3
171
17
12
214
Sonia Ilieva
5
164
3
3
215
Brian F Yates
6
162
11
12
216
Eluvathingal D Jemmis
2
160
35
17
217
Robert Lucchese
5
159
19
13
218
Kevin B Moore Iii
11
150
1
1
219
William A Lester Jr
3
139
3
3
220
William L Karney
1
133
14
7
220
Kirk A Peterson
7
133
15
52
222
Gary E Douberly
11
131
3
4
223
Xiuhui Zhang
11
130
3
12
223
Zhi-Pan Liu
2
130
63
55
223
Willem Klopper
2
130
66
105
227
Yuan-Pern Lee
2
124
29
12
228
Longfei Li
9
120
2
2
229
Richard H Duncan Lyngdoh
3
114
2
2
230
Judy I Wu
4
110
14
20
231
Gonghu Li
2
109
19
19
232
Tianyuan Zhang
1
106
13
11
232
Marvin H Lechner
1
106
1
1
232
Daniel R Nascimento
1
106
18
7
232
Tyler Y Takeshita
1
106
19
30
232
Daniel Neuhauser
1
106
28
10
237
Xinhao Zhang
4
101
22
43
238
Paul Sherwood
1
100
28
32
239
Tian-Yu Sun
3
97
3
10
240
Sarah N Elliott
4
92
1
3
240
Kendall Houk
1
92
342
343
242
Thanh L Nguyen
1
91
35
22
242
Tao Yang
1
91
57
40
244
Charles J Stanton Iii
1
89
1
1
245
Sadasivam Manogaran
4
87
1
1
245
Dhivya Manogaran
4
87
1
1
245
Peter J Knowles
1
87
18
33
248
Yun-Dong Wu
2
85
39
44
249
Whitney Morgan
7
78
1
2
249
Nathan DeYonker
5
78
4
22
251
Jose Carneiro
1
76
59
23
251
Edwin L Sibert Iii
2
76
14
11
253
Doaa Altarawy
3
75
2
6
254
Marissa L Estep
5
74
1
1
255
Mark R Nimlos
1
73
62
67
255
Guest-Prof Dr Jean Demaison
1
73
29
19
255
Branko Ruscic
1
73
41
47
255
G Barney Ellison
1
73
33
26
259
Matthew V Vollmer
1
72
12
11
259
Melissa L Clark
1
72
10
16
259
Justin R Walensky
1
72
39
27
262
Kaori Fukuzawa
2
71
24
32
262
Wei Guo Sun
3
71
10
12
264
Rigoberto Hernandez
1
70
53
38
265
Debashis Mukherjee
1
65
14
11
266
Hyun Sik Kim
1
63
11
9
266
Zhong Zhang
7
63
3
2
268
Zhi Sun
9
61
1
1
268
Michael Trenary
1
61
23
12
268
Levent Sari
5
61
1
2
271
Qiong Luo
8
60
1
1
272
Walter Thiel
1
59
144
191
273
Sarvesh Kumar Pandey
2
57
10
7
273
Jozef Noga
1
57
25
20
275
Devin A Matthews
2
56
9
30
275
Matthew M Davis
4
56
1
1
277
Peter R Franke
5
55
2
4
277
David J Tozer
1
55
23
34
279
Ming Lei
3
53
11
33
279
Qianyi Cheng
3
53
2
4
279
Frank C Pickard Iv
2
53
14
26
279
Bangaru Bhaskararao
1
53
5
18
279
Sukriti Singh
1
53
3
15
279
Santanu Malakar
1
53
7
5
285
Mark E Wolf
8
52
1
1
286
Gustavo J R Aroeira
5
51
1
1
287
Gábor Czakó
2
48
21
40
287
Michael A Duncan
2
48
15
37
289
Jiang HeMing
2
47
4
5
290
Nery Villegas-Escobar
5
45
3
6
291
Theresa A Ramelot
1
43
28
53
292
Edit Matyus
1
42
21
23
293
Kenneth Ruud
1
41
112
176
294
Luc Vereecken
1
39
65
102
294
Alejandro Toro-Labbe
4
39
25
68
294
Jared D Weidman
5
39
1
1
294
Jozef Peeters
1
39
27
29
294
Ji-Jun Zou
1
39
62
119
299
Brian J Duke
3
38
1
2
299
Qun-yan Wu
4
38
17
63
299
Svetlana D Simova
1
38
34
31
302
Anna Doner
2
37
1
1
302
Alanna Koritzke
2
37
1
1
302
Zhonghua Sun
4
37
26
72
302
Craig A Taatjes
2
37
48
106
302
Brandon Rotavera
2
37
13
27
302
Matthew Christianson
2
37
1
1
302
David L Osborn
2
37
20
31
302
Leonid Sheps
2
37
15
44
310
Qiang Hao
5
36
4
7
310
Biswarup Pathak
1
36
91
90
312
Hua-Jie Zhu
1
35
14
8
312
Bin Peng
5
35
1
6
314
Roald Hoffmann
2
34
44
120
314
John F Stanton
2
34
42
84
314
Brian C Sanders
1
34
4
9
314
Etsuko Fujita
1
34
66
107
314
Andrew M Launder
3
34
1
1
319
D Brandon Magers
1
33
3
2
319
Lester S Andrews
1
33
47
48
321
Dunwei Wang
1
32
93
173
321
Da He
1
32
24
29
321
P\u00e9ter G Szalay
1
32
40
75
321
Tongxiang Lu
3
32
3
10
325
Soumyadeb Dey
2
30
1
1
325
Daniel Wallach
1
30
138
197
327
Per Jensen
2
28
20
27
327
Stephen J Klippenstein
1
28
94
158
327
Murat Keceli
1
28
16
45
327
Richard James Saykally
1
28
60
83
327
Heather A Carlson
1
28
36
50
327
Robert W. Field
1
28
55
134
327
Andreas V Copan
1
28
4
4
327
Carlo Cavallotti
1
28
42
78
327
Yi Zeng
4
28
1
2
327
J Wayne Mullinax
5
28
1
174
327
Joseph P Kenny
1
28
4
3
338
Bo Chen
1
26
35
61
338
Meiling Zhang
3
26
2
3
338
Paul L Raston
1
26
8
7
341
Michael C Bowman
6
25
1
1
342
Taylor A Barnes
2
24
2
18
342
Ankan Paul
3
24
10
19
342
John W Birks
1
24
3
11
345
Preston R Hoobler
6
23
1
1
346
Rodney J Bartlett
1
22
65
101
347
Yong Dong Liu
4
19
2
9
347
Daniel P Tabor
1
19
28
96
349
Henry F Mull
3
18
1
1
349
Ryan T Allen
1
18
1
1
349
Jonathan D Mosley
1
18
16
38
353
David Scheschkewitz
1
17
46
54
353
Patrick Charbonneau
1
17
35
61
353
Ponnadurai Ramasami
3
17
29
84
356
Mitchio Okumura
1
16
33
86
356
Sergei Manzhos
1
16
90
183
356
Gustavo Avila
1
16
4
4
356
Cuihong Wang
2
16
2
4
360
Jerzy Leszczynski
2
15
74
225
360
David L Dotson
1
15
7
17
360
Theresa L Windus
1
15
43
126
360
Jeffrey R Wagner
1
15
1
1
360
Jiřı́ Šponer
1
15
162
296
360
Sebastian J R Lee
1
15
5
6
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Ryan D Reynolds
1
15
2
2
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Sebastian Ehlert
1
15
148
522
360
Joshua T Horton
1
15
4
5
360
Heather J Kulik
1
15
51
134
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Israel Fernandez
1
15
144
237
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Logan Ward
1
15
31
83
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Nuwan De Silva
1
15
9
48
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Annabelle T Lolinco
1
15
5
4
360
Adrian G Hurtado
1
15
1
1
360
Jan Hermann
1
15
11
87
360
Levi N Naden
1
15
18
22
360
Todd J Martinez
1
15
168
334
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Jiyoung Lee
1
15
5
5
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Andreas Dreuw
1
15
64
298
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Farhad Ramezanghorbani
1
15
1
10
360
Alexander G Heide
1
15
1
1
360
Michael F Herbst
1
15
10
185
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John D Chodera
1
15
89
393
360
Carlos H Borca
1
15
21
63
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Fang Liu
1
15
26
37
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Jamshed Anwar
1
15
26
68
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Alexandra D Burke
3
15
1
1
360
Johannes Steinmetzer
1
15
24
41
360
Shunyang Wang
1
15
62
130
360
Colton B Hicks
1
15
1
1
391
Michael C Mccarthy
1
14
66
99
391
Brian J Esselman
1
14
16
28
391
Hui Wang
3
14
9
22
391
Liang Pu
1
14
6
11
391
Xiaoqing Zeng
1
14
40
44
391
Gergely Gidofalvi
1
14
10
208
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P R Bunker
1
14
12
19
398
Mei Tang
2
13
4
4
398
Liancai Xu
2
13
5
8
398
Thomas R Rizzo
1
13
33
55
398
Radu Silaghi-Dumitrescu
1
13
61
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Xiang R Chen
2
13
39
74
403
Tatiana N Sevastianova
1
12
6
11
403
Phuong M Tran
6
12
1
1
405
Miquel Solà
1
11
152
280
405
Guo-Liang Li
5
11
6
59
405
Albert Poater
1
11
119
228
405
Diana V Cheshmedzhieva
3
11
4
10
409
Xiao-Guang Bao
1
10
17
32
409
Chenyang Li
1
10
7
16
411
Mitchell E Lahm
2
9
1
1
411
Jia Fu
2
9
4
10
411
Frank Weinhold
2
9
9
70
411
De-Cai Fang
2
9
10
36
411
Uzi Kaldor
1
9
12
32
416
J Grant Hill
1
8
17
28
416
Shida Gong
4
8
7
16
418
Xinchuan Huang
1
7
26
59
418
Ryan C Fortenberry
1
7
51
80
420
Nan Li
3
6
2
22
420
Xiao-Ming Cao
1
6
42
99
420
Zhen Hua Li
1
6
44
104
420
Wenning Wang
1
6
23
51
420
Miquel Duran
1
6
32
65
420
Guo-Liang Song
1
6
7
15
420
Wan Li
1
6
9
11
420
John N Glushka
2
6
1
4
428
Julia A Noonan
1
5
2
3
428
Yi Chen
1
5
154
291
428
Elliot C Rossomme
1
5
9
189
428
Caroline Sargent
1
5
1
1
428
Rene Rugango
1
5
3
3
428
Olivia M Bernstein
1
5
1
4
434
Liping Huang
2
4
2
21
434
Jon M Fukuto
1
4
42
102
434
Zhong-Fang Chen
1
4
148
350
434
Linxing Zhang
1
4
3
20
434
Mohammad Reza Momeni Taheri
1
4
16
25
434
Krishnan Balasubramanian
1
4
17
31
434
Farnaz A Shakib
1
4
12
18
434
Derek R Langstieh
1
4
1
1
434
Chun-Xiang Huang
2
4
4
13
443
Yameng
2
3
1
5
443
Nikolay V Tkachenko
1
3
24
52
443
Brandon G Rocque
1
3
45
117
443
Ching-Han Hu
1
3
10
15
443
Alexander I Boldyrev
1
3
77
154
443
Bing
1
3
18
32
449
Honglai Liu
1
2
102
241
449
Yunxiang Lu
1
2
18
36
449
Shengyao Lv
1
2
5
8
449
Ying Yao
1
2
19
27
453
Soon Xin Ng
1
1
49
108
453
Herb Fynewever
1
1
2
7
453
William L Jorgensen
1
1
139
238
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Berhane Temelso
1
1
21
39
457
Nathaniel L Kitzmiller
1
0
1
0
457
Ramaraja P Ramasamy
1
0
16
37
457
Hamid Asadi
1
0
2
8
457
Zhi-Hui Zhang
2
0
30
83
457
Boris Dzikovski
1
0
17
43
457
April A Rains
1
0
1
4
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