Searched refs:VALENCE (Results 1 – 25 of 220) sorted by relevance
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2598 :CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE 1 = 8.1640932621 :CHA002: TOTAL VALENCE CHARGE INSIDE SPHERE 2 = 8.1640832644 :CHA003: TOTAL VALENCE CHARGE INSIDE SPHERE 3 = 8.1640932667 :CHA004: TOTAL VALENCE CHARGE INSIDE SPHERE 4 = 8.1640832690 :CHA005: TOTAL VALENCE CHARGE INSIDE SPHERE 5 = 8.1640932713 :CHA006: TOTAL VALENCE CHARGE INSIDE SPHERE 6 = 8.1640832736 :CHA007: TOTAL VALENCE CHARGE INSIDE SPHERE 7 = 8.1640932759 :CHA008: TOTAL VALENCE CHARGE INSIDE SPHERE 8 = 8.1640832782 :CHA009: TOTAL VALENCE CHARGE INSIDE SPHERE 9 = 8.1632492805 :CHA010: TOTAL VALENCE CHARGE INSIDE SPHERE 10 = 8.164962[all …]
2598 :CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE 1 = 8.1641182621 :CHA002: TOTAL VALENCE CHARGE INSIDE SPHERE 2 = 8.1640882644 :CHA003: TOTAL VALENCE CHARGE INSIDE SPHERE 3 = 8.1640882667 :CHA004: TOTAL VALENCE CHARGE INSIDE SPHERE 4 = 8.1640882690 :CHA005: TOTAL VALENCE CHARGE INSIDE SPHERE 5 = 8.1640882713 :CHA006: TOTAL VALENCE CHARGE INSIDE SPHERE 6 = 8.1640882736 :CHA007: TOTAL VALENCE CHARGE INSIDE SPHERE 7 = 8.1640882759 :CHA008: TOTAL VALENCE CHARGE INSIDE SPHERE 8 = 8.1640882782 :CHA009: TOTAL VALENCE CHARGE INSIDE SPHERE 9 = 8.1640882805 :CHA010: TOTAL VALENCE CHARGE INSIDE SPHERE 10 = 8.164088[all …]
1156 :CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE 1 = 8.1640831177 :CHA002: TOTAL VALENCE CHARGE INSIDE SPHERE 2 = 8.1640731197 :CHA003: TOTAL VALENCE CHARGE INSIDE SPHERE 3 = 8.1632491214 :CHA004: TOTAL VALENCE CHARGE INSIDE SPHERE 4 = 8.1649621231 :CHA005: TOTAL VALENCE CHARGE INSIDE SPHERE 5 = 8.1640831251 :CHA006: TOTAL VALENCE CHARGE INSIDE SPHERE 6 = 8.1640961271 :CHA007: TOTAL VALENCE CHARGE INSIDE SPHERE 7 = 8.1640891288 :CHA008: TOTAL VALENCE CHARGE INSIDE SPHERE 8 = 8.1640921306 :CHA009: TOTAL VALENCE CHARGE INSIDE SPHERE 9 = 8.1640891327 :CHA010: TOTAL VALENCE CHARGE INSIDE SPHERE 10 = 8.164087[all …]
1155 :CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE 1 = 8.1641191172 :CHA002: TOTAL VALENCE CHARGE INSIDE SPHERE 2 = 8.1640891189 :CHA003: TOTAL VALENCE CHARGE INSIDE SPHERE 3 = 8.1640891209 :CHA004: TOTAL VALENCE CHARGE INSIDE SPHERE 4 = 8.1640891229 :CHA005: TOTAL VALENCE CHARGE INSIDE SPHERE 5 = 8.1640891246 :CHA006: TOTAL VALENCE CHARGE INSIDE SPHERE 6 = 8.1640891264 :CHA007: TOTAL VALENCE CHARGE INSIDE SPHERE 7 = 8.1640781285 :CHA008: TOTAL VALENCE CHARGE INSIDE SPHERE 8 = 8.1640781306 :CHA009: TOTAL VALENCE CHARGE INSIDE SPHERE 9 = 8.1641121327 :CHA010: TOTAL VALENCE CHARGE INSIDE SPHERE 10 = 8.164066[all …]
466 BOND ORDER AND VALENCE ANALYSIS BOND ORDER THRESHOLD=0.050474 ATOM VALENCE VALENCE VALENCE613 BOND ORDER AND VALENCE ANALYSIS BOND ORDER THRESHOLD=0.050621 ATOM VALENCE VALENCE VALENCE
457 BOND ORDER AND VALENCE ANALYSIS BOND ORDER THRESHOLD=0.050465 ATOM VALENCE VALENCE VALENCE604 BOND ORDER AND VALENCE ANALYSIS BOND ORDER THRESHOLD=0.050612 ATOM VALENCE VALENCE VALENCE
6427 final static int VALENCE = 32; field in PyMOL6481 VALENCE, 88,6667 VALENCE, 102,6743 VALENCE, 104, // signed char valence; // 0-4
10 ! where N_i is the number of VALENCE electrons on i
11 ! where N_i is the number of VALENCE electrons on i
467 BOND ORDER AND VALENCE ANALYSIS BOND ORDER THRESHOLD=0.050475 ATOM VALENCE VALENCE VALENCE
725 (AND VALENCE (SETQ STORE (CONS VALENCE STORE)))738 (COND (VALENCE (PROG (V)1670 (OR (NULL VALENCE) (NULL (CADR VE)) (EQUAL (CADR VE) VALENCE))2504 (COND (VALENCE (PROG22530 (MAPC (COND ((OR (NULL VALENCE)2531 (EQ (CAR VALENCE) (CADR VALENCE)))2924 (SETQ VALENCE V)2929 (SETQ T01 (EQ (CAR VALENCE) (CADR VALENCE)))2930 (SETQ T02 (EQ (CAR VALENCE) (CADDR VALENCE)))2931 (SETQ T13 (EQ (CADR VALENCE) (CADDDR VALENCE)))[all …]
14 ! where N_i is the number of VALENCE electrons on i
15 ! where N_i is the number of VALENCE electrons on i